spectra for the identification of additives in food packaging

European Commission Directorate-General for Science, Research and Development

Standards Measurement and Testing Programme

Spectra for the Identification of Additives in Food Packaging

Ben van Lierop Food Inspection Service, Utrecht, The Netherlands

Laurence Castle Ministry of Agriculture, Fisheries and Food,

CSL Food Science Laboratory, Norwich, United Kingdom

Institut Alexandre Feigenbaum

lational de la Recherche Agronomique, Reims, France

and

Achim Boenke European Commission, SMT Programme, DG XIUC.5, Brussels, Belgium

KLUWER ACADEMIC PUBLISHERS DORDRECHT / BOSTON / LONDON

A C.I.P. Catalogue record for this book is available from the Library of Congress.

ISBN 0-7923-4986-5

Published for the European Commission

Directorate-General Science, Research and Development.

EUR 18027 EN 01998 ECSC, EEC, EAEC, Brussels and Luxembourg

LEGAL NOTICE Neither the European Commission nor any person acting on behalf of the

Commission is responsible for the use which might be made of the following information.

Coverdesign by Mere1 van Lierop

Published by Kluwer Academic Publishers, P.O. Box 17,3300 AA Dordrecht, The Netherlands.

Sold and distributed in the U.S.A. and Canada by Kluwer Academic Publishers,

101 Philip Drive, Norwell, MA 02061, U.S.A.

In all other countries, sold and distributed by Kluwer Academic Publishers,

P.O. Box 322,3300 AH Dordrecht, The Netherlands.

Printed on acid-free paper

All Rights Reserved No part of the material protected by this copyright notice may be reproduced or

utilized in any form or by any means, electronic or mechanical, including photocopying, recording or by any information storage and retrieval system, without written permission from the copyright owner

Printed in the Netherlands

V

CONTENTS

Substance CAS No.

Acids, fatty (C14-C18), alkyl (C14-Cl8) ester

2-hydroxy-5-methylbenzyl)-4-methylphenyl ester

85566-24-1 Acrylic acid, 2-tert-butyl-6-(3-tert-butyl- 61167-58-6

Adipic acid, bis(2-ethylhexyl) ester 00 103 -23- 1 Adipic acid, dibutyl ester 00105-99-7 Alkyl (C10-C13)benzenesulphonic acid, sodium salt Alkyl (C10-C20)sulphonic acid, esters with phenols Azelaic acid, bis(2-ethylhexyl) ester Azelaic acid, bis(6-methylheptyl) ester 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene N,N’-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionyl) hydrazide Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite Bis(4-ethylbenzylidene) sorbitol N, N-Bis(2-hydroxyethyl)alkyl(C8-C 18)amine N, N’-Bis(2-hydroxyethyl)lauramide 2,4-Bis(octylmercapto)-6-(4-hydroxy- 3,5-di-tert-butyl-anilino)-l,3,5-triazine 2,4-Bis(octylthiomethyl)-6-methylphenol Bisphenol A tert-Butyl-4-hydroxy anisole Citric acid, triethyl ester Dibenzothiazyl disulphide 2,6-Di-tert-butyl-p-cresol 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt 2,4-Dihydroxybenzophenone 4,4 ’-Dihydroxybenzophenone Di-n-octyltin bis(Zethylhexy1 mercaptoacetate) Di-n-octyltin bis(isoocty1 mercaptoacetate) N,N’-Diphenylthiourea Dodecylbenzenesulphonic acid Erucamide 2-Ethoxy-2’ -ethyloxanilide Ethylbenzene N,N’-Ethylenebisstearamide

00103-24-2 00106-03-6 07128-64-5 32687-78-8

2674 1-53-7

79072-96- 1 71786-60-2 00 120-40- 1 0099 1-84-4

110553-27-0 00080-05-7 250 13- 16-5 00077-93-0 00120-78-5 00128-37-0 65140-91-2

0013 1-56-6 006 1 1-99-4 15571-58-1 26401 -97-8 00102-08-9 27176-87-0 001 12-84-5 23949-66-8 00100-4 1-4 001 10-30-5

- PM Page No. Ref. No.

31304 31520

31920 32240 33800 34240 36320 36400 38560 38800

38820

38950 39090 39280 40000

40020 40060 40720 44640 46400 46640 46880

48640 48720 50320 50480 51680 52000 52720 53200 53255 53520

9 17

22 27 32 39 44 49 54 59

64

69 74 79 85

90 95

100 105 110 116 121

126 131 136 142 148 156 160 165 170 175

IntroductionGC Retention Times

vi

Substance

Ethyleneglycol bis(3,3-bis(3-tert-butyl- 4-hydroxypheny1)butyrate) 2-Ethylhexanoic acid Gallic acid, propyl ester Glycerol monooleate Glycerol monostearate Glycerol triacetate 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl- 4-hydroxypheny1)propionamide) 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl- 4-hydroxypheny1)propionate) 4-Hydroxybenzoic acid, methyl ester 2-(2-Hydroxy-3,5-bis( 1,l-dimethylbenzy1)phenyl) benzotriazole 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)- 5-chlorobenzotriazole 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid, dimethyl ester, copolymer 2-Hydroxy-4-methox ybenzophenone 2-(2-Hydroxy-5-methylphenyl)benzotriazole 2-Hydroxy-4-n-octyloxybenzophenone 2,2’-Methylenebis(4-ethy1-6-tert-butylphenol)

2,2’-Methylenebis(4-methy1-6-cyclohexylphenol) Monochlorobenzene Mono-n-octyltin tris(Zethylhexy1 mercaptoacetate) Mono-n-octyltin tris(isoocty1 mercaptoacetate) 1 -0ctadecanol Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate Oleamide Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated) Pentaerytritol tetrakis(3-(3,5-di-tert-butyl- 4-hy droxy -pheny l)propionate) 2-Phenylindole Phosphoric acid, diphenyl2-ethylhexyl ester Phosphoric acid, tributoxyethyl ester Phosphoric acid, tributyl ester

, 2,2’-Methylenebis(4-methyl-6-tert-butylphenol)

CAS No.

32509-66-3

00149-57-5 00121-79-9 25496-72-4 3 1566-3 1-1 00102-76-1 23 128-74-7

35074-77-2

00099-76-3 7032 1-86-7

03896-1 1-5

70 198-29-71 65447-77-0 00 13 1-57-7 02440-22-4 01843-05-6 00088-24-4 00 1 19-47- 1 04066-02-8 00108-90-7 27 107-89-7 2640 1-86-5 001 12-92-5 02082-79-3

00301-02-0 63231-60-71 08002-74-2 06683-19-8

00948-65-2 0 124 1-94-7 00078-5 1-3 00 126-73-8


53670

54120 55360 56960 57520 57760 59120

59200

60200 60320

60400

60800

61360 61440 6 1600 66400 66480 66560 67280 67680 67760 68225 68320

68960 71281

71680

72 160 72800 73600 73680

180

185 190 195 200 205 210

215

220 225

230

23 5

23 9 244 249 254 259 264 269 136 142 274 279

284 289

294

298 303 308 313

Substance

Phosphoric acid, triisobutyl ester Phosphoric acid, triphenyl ester Phosphoric acid, tris(Zethylhexy1) ester Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester Phthalic acid, benzyl butyl ester Phthalic acid, bis(2-ethylhexyl) ester Phthalic acid, dibutyl ester Phthalic acid, dicyclohexyl ester Phthalic acid, diethyl ester Phthalic acid, diisobutyl ester Phthalic acid, diisodecyl ester Phthalic acid, diisononyl ester Phthalic acid, diisooctyl ester Phthalic acid, dimethyl ester Polydimethylsiloxane

Polyethyleneglycol ether of tallow fatty alcohol Poly(ethy1ene propy1ene)glycol Polyolefins Poly[6-[( 1,1,3,3-tetramethylbutyl)amino]- 1,3,5-triazine-2,4-diyl]-[(2,2,6,6-tertramethyl-

CAS No.

00126-71-6 00115-86-6 00078-72-2 3 1570-04-4

26523-78-41 01333-21-7 00085-68-7 001 17-81-7 00084-74-2 00084-6 1-7 00084-66-2 00084-69-5 26761-40-0 28533- 12-0 27554-26-3 00131-11-3 09016-00-61 61348-62-9 6 1791-28-4 09003-1 1-6 68037-12-7 7 1878- 19-8

4-piperidy1)iminol hexamethylene[ (2,2,6, 6-tetramethyl- 4-piperidyl)imono] Sebacic acid, bis(2-ethylhexyl) ester 00122-62-3 Sebacic acid, dibutyl ester 00109-43-3 Sorbitan monolaurate 01338-39-2 Sorbitan monooleate 01338-43-8 Sorbitan monostearate 01338-41-6 Stearamide 00124-26-5 Stearic acid, butyl ester 00123-95-5 Stearic acid, esters with pentaerytritol 08045-34-9 Stearoy lbenzoylmethane 58446-52-9 Sulphosuccinic acid, bis(Zethylhexy1) ester, 00577- 1 1-7 sodium salt

biphenylylene diphosphonite Tetrakis(2,4-di-tert-butylphenyl)-4,4’- 38613-77-3

vii


73840 73920 74000 74240

74400

74560 74640 74880 74960 75120 75280 75360 75440 75520 75600 76720

77760 79930 80550 8 1200

85120 85360 87600 87680 87840 88960 89120 89520 90720 91572

92560

318 323 328 333

340

346 35 1 356 361 366 37 1 376 381 386 39 1 396

40 1 406 41 1 416

42 1 426 43 1 436 44 1 446 45 1 456 460 465

470

... Vl l l

Substance

4,4’-Thiobis(6-tert-butyl-3-methylphenol) Thiodiethanol bis(3-(3,5-di-tert-butyl- 4-hydroxyphenyl) propionate) Thiodipropionic acid, didodecyl ester Thiodipropionic acid, ditetradecyl ester Triethyl acetylcitrate Triethyleneglycol bis(3-(3-tert-butyl- 4-hydroxy-5-methylphenyl) propionate) 1 , 1 , l-Trimethylolpropane 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4- hydroxybenzy1)benzene 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 1,3,5-triazine-2,4,6( 1 H ,3H, 5H)-trione

Contents in CAS number order Polymer abbreviations

CAS No.

00096-69-5 41484-35-9

00123-28-4 16545-54-3 00077-89-4 36443-68-2

00077-99-6 01709-70-2

27676-62-6


92800 92880

93120 93360 94240 94400

94960 95200

95360

475 480

485 490 495 500

505 510

515

520 524

CHAPTER 1

Introduction

This new book on additives used in plastics for food contact, can be seen as a companion to the 1993 publication Spectra for the Identiflcation of Monomers in Food Packaging [ 1, 21. That earlier book presented information on monomeric substances listed in Directive 90/128/EEC [3], which restricts the range of monomers and other starting substances that can be used for the production of plastics materials and articles intended for food contact applications.

As a logical supplement to the collection of monomers and other starting substances, the preparation of a reference collection and a Handbook of analytical data of additives was undertaken with funding from The European Commission under the Standards Measurements and Testing programme. We then give a collection of spectra for the identification of 100 of the most important additives used in plastics packaging and coatings. Infra-red (FT-IR) and mass spectra (MS) are presented, as in the monomers book, but we have extended the scope to include proton nuclear magnetic resonance ('H-NMR) spectra and gas-chromatographic (GC) data.

Legal Framework

The Commission of the European Communities provides in Synoptic Document N. 7 [4] a provisional list of additives used for the production of food contact plastics. This Synoptic Document anticipates a Directive on additives for food contact plastics. One hundred of the most important additives were selected from this provisional list after extensive consultation with researchers in the field and with representatives from European industry (Food Contact Additives Panel (FCA) sector group of the European Chemical Industry Council (CEFIC).

Although the additives are listed in [4], it is still yet undecided exactly how control on their use would be best exercised. The two most likely forms of control are a restriction on the migration of the specific substances to food or food simulants (SMLs, specific migration limits) or controls on the composition of the plastic (QMs, maximum quantity of the substance in the material). Several studies have been carried out to inform this debate, to relate the maximum level of residual substance in the finished plastic (QM limit) with the amount of substance migrating to foods or food simulants under defined conditions (SML limit). Most recently, in the EU project AIR-941025 Safety and Quality Control of Plastic Materials for Food Contact [5] coordinated by one of us (Alexandre Feigenbaum, Institut National de la Recherche Agronomique), the substances in the polymer are first identified with the aid of a reference collection of additives. In subsequent parts of the project, a mathematical model was developed to relate SM values to QM values. It will be necessary to validate the migration model by generating the necessary experimental data.

1

2

These developments notwithstanding, in fact whichever form of control, SML or QM, is finally adopted for additives, the first step in any investigation must be to identify the substances that may migrate and therefore need to be quantified. This book delivers data for this identification.

Implementation of legislation

Although the principles intended to govern the control of materials and articles are clear from the relevant Directives, the practical problems of implementation and the development of an approach that should be adopted by enforcement authorities in real situations, have not yet been addressed. The most systematic approach to control has been elaborated in the Netherlands to meet Dutch Regulations [6-91 in existence before Directive 90/128/EEC. The approach used has been to initially identify polymeric materials by infra-red spectra and then to identify the substances in solvent extracts by gas-chromatography - mass spectrometry (GC-MS) and by liquid chromatography (LC). Practical application of this approach over more than ten years has shown that considerable experience is required in knowing what type of polymer is used in what food contact situation, as well as the likely additives and other constituents that might be present. The Dutch test method has been discussed in the CEN working group WG2 of Technical Committee TC 194 and a CEN standard is in preparation [lo]. The Dutch method is applied in its original or slightly modified form in e.g. government laboratories in Denmark, Greece, Norway, Sweden and Switzerland and in industrial test labs (especially by converters). Spectroscopic and chromatographic information as well as access to authentic reference substances are essential to carry out this work.

This Handbook will be of practical assistance to enforcement laboratories in the European Union and to industry laboratories needing to demonstrate compliance. Also, to Universities and other research establishments who undertake more fundamental research into migration from plastics. If the models for predicting migration will be generally applied then identification of additives is essential. In addition to the spectroscopic and other information contained in this Handbook, there exists a physical collection of these reference substances of known provenance and from which the spectra were obtained. Reasonable requests for these reference substances themselves will be met on application to the address below. These substances will be supplied neat or as a reference solution where appropriate from:

Plastics Reference Collection of Additives Food Inspection Service Utrecht Specialisatie Verpakkingen Nijenoord 6, 3552 AS Utrecht Postbox 10123, 3505 AB Utrecht The Netherlands tel +31-30-2461-611

E-mail [email protected] and/or [email protected] fax +31-30-2422-566

3

Scope of the Handbook

EC Directive 90/128/EEC controls the safety of plastics food packaging materials by limiting through a positive list the substances permitted to be used as monomers and other starting substances for the production of plastics. After monomers the European Commission will regulate plastics additives. The additives used in plastics intended for food contact are listed in Commission working documents (‘Synoptic Documents’). This project was started on the basis of Synoptic Document N. 5 and for the final selection of additives the Synoptic Document N. 7 [4] was used.

The basis for selection of the one hundred most important additives were the usage, the level of the tolerable daily intake figure (which indicates if any control e.g. by QM or SML is needed) and, finally, the intrinsic likelihood of migration.

Entries for each substance provide the structural formula, the CAS number and the PM reference number, which is the number by which substances are indexed by the Commission services e.g. in Directives and Synoptic Documents. Alternative names whether systematic IUPAC nomenclature or trivial names, are given as a further aid to identification.

Physical characteristics such as solubility in common organic solvents are described although these are indicative only and not definitive nor exhaustive. These have been taken from datasheets from the suppliers of each substance. Stability of the additive under test is important and the user of this handbook is recommended to check for stability before conducting quantitative extraction or migration tests. Information on the stability of each additive can only be obtained by extensive investigation. The stability of additives in food simulants has been investigated in EU project AIR3-CT94-2360 Stability of Plastic Additives in Food Simulants and this is a useful reference source [ 111,

Some indications for handling are included, but safety requirements for the handling of chemicals vary from country to country. Therefore the safety precautions are given in very general terms and are not intended to have any legal status.

Information on current use of the additives is given. This information was obtained after consultation with industry (FCA, sector group of CEFIC). Also the personal experience of the participants was taken into account.

The retention times of the additives which could be analysed by GC under the conditions described in Chapter 11, are given in minutes. GC was performed using the normal hydrocarbons CI2, C, and C24 as retention time markers. This allows the calculation of retention indices which will facilitate the identification of additives. This calculation can be carried out by relating the measured retention time of the reference substances to the retention times of the hydrocarbons CI2, C20 and CH. A possible formula is given by Guiochon and Guillemin [12]. All the additives were analysed under the same gas chromatographic conditions.

4

The Fourier transform infra-red spectra were recorded in two laboratories as a check of the data. Comparison with literature spectra could seldom be carried out because these were not usually available. The FT-IR spectra can be used either to identify the substance as such, or to identify additives in subtracted spectra. The spectra can be added to existing data bases.

Mass spectra are similarly meant to complement existing data bases. Mass spectra are very suitable to identify additives in solvent extracts of food contact polymers. For substances that can be analysed by GC the mass spectra were measured on two GC-MS systems to generate classical electron-impact spectra. However many additives cannot be analysed by GC for reasons of e.g. low volatility or thermal instability. For these substances the rapidly developing technique of LC-MS is suitable. A limitation of current LC-MS instrumentation is that most ionisation interfaces do not give consistent and library-searchable spectra. One exception to this is the particle-beam interface which gives classical electron-impact spectra. So for additives that could not be analysed by GC, then direct source injection or flow-injection particle beam MS analysis was applied. These spectra were recorded twice in the same laboratory (separated by several weeks) to check for consistency.

Proton magnetic resonance ('H-NMR) spectra displayed in this Handbook were recorded in two different laboratories as a double check. The spectra can be used to identify additives either pure, or as constituents of polymer extracts [5]. In the research project AIR-9411025 [5], it has been shown that 'H-NMR is a powerful tool for the quality control of most food packaging plastics, specially in an industrial framework. The materials are extracted by a suitable solvent. After evaporation to dryness, the 'H-NMR spectrum of the extract is recorded. This spectrum can be used as a fingerprint of the material. Using the data base of this Handbook and relying on experience for interpretation it is possible to decide very quickly about the presence or the absence of an additive in the material. 'H-NMR requires quite expensive equipment, but the essential information can often be obtained in a very short time from the spectra [13-151. This approach therefore efficiently complements methods previously developed.

It should be noted that the substances supplied by industry were representative of current usage and were of good technical quality but were not necessarily fine chemicals of analytical purity (e.g. >99.5%). They could contain therefore the normal and inevitable minor feedstock and reaction impurities and especially (where applicable) isomeric 'impurities'. For FT-IR, 'H-NMR and flow-injection MS analysis, these impurities will be included in the spectra and may or may not be discernible. In contrast, for GC-MS analysis where acquisition of a spectrum is preceded by some chromatographic separation, these impurities will have been removed to a greater or lesser extent from the resulting spectrum. This is also true for sample introduction into the MS by direct probe where preferential evaporation from the heated probe can occur. The user of this handbook should bear this in mind, the nature of spectra acquisition, when comparing these reference spectra to any spectrum generated in hidher own investigations.

5

Acknowledgments

Special thanks go to Karl Ehlert from FISU, who undertook the large task of preparing the camera-ready datasheets. We are very grateful to our colleagues who provided the analytical data. 'H-NMR spectra were provided by prof James Bouquant (UniversitC de Reims) and Denise Scholler (INRA) and by Chris Honeybone and Katrina Mountfort (MAFF). Special thanks to prof Bouquant for interpretation of the 'H-NMR spectra and his scientific contribution to the project. The infra-red spectra were provided by Marjan van der Beek (FISU) and Janine Le Sech (INRA). The mass spectra were provided by Teuni Volp (FISU) and by Phil Clarke, Simon Hird and Andy Damant (MAFF). The gas-chromatographic retention times were measured by Karl Ehlert (FISU) .

The success in producing this Handbook has also been due to assistance in supplying samples and to the information made freely available by European industrial and Government sources too numerous to mention. We are specially grateful to R. Ashby (ICI), J. Autin (CEFIC-FCA), J. Gonzalez (CICC), K. Hinrichs (Henkel), S.E.P.G. Merckx (General Electric), U. Schonhausen (Ciba Geigy) and H. Vergallen (Premark Resources).

References

Bush, J., Gilbert, J. and Goenaga, X. Spectra for the identification of monomers in food packaging. Kluwer Academic Publishers, Dordrecht, The Netherlands, 1993. Gilbert, J., Bush, J., Lopez de Sa, A,, Lierop, J.B.H. van and Goenaga, X. Establishment of a reference collection of substances and an analytical handbook of reference data to support enforcement of EC regulations on food contact materials. Food Additives and Contaminants, 1994, 11, 71-74. Commission Directive 90/128/EEC of 23 February 1990 relating to plastics materials and articles intended to come into contact with foodstuffs. WciaZ Journal of the European Communities L349, 26-47. Synoptic document N. 7. Draft of provisional list of monomers and additives used in the manufacture of plastics and coatings intended to come into contact with foodstuffs. Commission document CS/PM/2356. Brussels, 15 May 1994. Project AIR-941025. Safety and Quality Control of Plastic Materials for Food Contact Materials. Final report 1997. In preparation. WARENWET, 1988, Dutch Food Law, Packaging and Utensils Regulation (VGB). Battum, D. van and Lierop, J.B.H. van. Testing of food contact materials in the Netherlands. Food Additives and Contaminants, 1988, 5 , 381-395. Lierop, J.B.H. van. Enforcement of European Community legislation at the national level. Food Additives and Contaminants, 1994, 11, 13 1 - 139. Lierop, J.B.H. van. Enforcement of food packaging legislation. Food Additives and Contaminants, 1997, 14, 555-561.

6

[lo] Battum, D. van and Lierop, J.B.H. van, 1997 Materials and articles in contact with foodstuffs, Guide for examination of plastic food contact materials. CEN TC 194/SCl/WG2 document N118. Project AIR3-CT94-2360. Stability of plastic additives in food simulants. Final report 1997. Guiochon, G. and Guillemin, C.L., Quantitative Gas Chromatography, Elsevier, 1988. Castle, L., Nichol, J. and Gilbert, J. Migration of polyisobutylene additive from polyethylene films into foods during microwave and domestic oven use. Food Additives and Contaminants, 1992, 9, 315-330. Feigenbaum, A., Bouquant, J., Hamadi, M., MCtois, P., Riquet, A. M. and Scholler, D. Quick methods to control compliance of plastic materials with food packaging regulations. Food Additives and Contaminants, 1997, 14, 571-582. Metois, P., Scholler, D., Bouquant, J. and Feigenbaum, A. Alternative test methods to control the compliance of food packaging materials with the European Union regulation: the case of aromatic antioxidants and of bis(ethano1amine) antistatics based on 'H-NMR and UV-visible spectrophotometry . Food Additives and Contaminants, 1997, in press.

[l 11

[12]

[13]

[14]

[15]

CHAPTER 2

GC retention times

It is described in the Dutch test method that a first identification of the additives can be performed by determination of the gas-chromatographic retention times. Therefore we provide the retention times of the additives which could be analysed by GC. The GC analysis was carried out on a Perkin Elmer autosystem XL with the following conditions. The column was a Hewlett Packard Ultra 1 column, 50 m x 0.32 mm with a film thickness of 0.52 pm of crosslinked methylsiloxane. The temperature program was 5 min at 50°C then raised at 5"C/min to 320°C and held for 26 min. The carrier gas was helium at 3.5 mL/min. The temperature of the injector was 260°C and injections of 1 pL of substance dissolved in diethylether were injected splitless. The flame ionisation detector used was held at 325°C. Under these conditions the retention times of the hydrocarbon markers were 20.1, 38.5 and 45.2 min for C,,, C,, and C,, respectively. Retention indexes of the reference substances can be calculated on basis of these retention times [ 121,

Infra red spectra

The manner in which Fourier Transform Infra-Red (FT-IR) spectra were obtained depended on the physical nature of the substance. The techniques used were formulation into KBr pellets and deposition onto KBr, KRS-5 or NaCl windows. Thus, ca. 1 mg of substance was mixed with KBr (50 mg) in a mortar. When transmission of the major peaks was low a larger amount of substance was used until all peaks had a satisfactory intensity. Spectra were acquired at 4 cm-' resolution using a MIDAC spectrometer. The sample and reference cell were scanned 60 times at 1.4 s/scan and the mean difference spectrum was plotted. FT-IR spectra were checked in a second laboratory using different instrumentation and conditions.

Mass spectra

Mass spectra were recorded under standardised conditions and a common format for data presentation has been adopted for each entry. For GC-MS, spectra were obtained using an updated Finnigan Mat SSQ 70 mass spectrometer coupled to a Varian 3400 gas chromatograph. Ionisation was by electron impact at 70 eV with a source temperature of 180°C. The scan range was 40 - 700 daltons. The GC was equipped with a J&W DB5m capillary column, 30 m x 0.32 mm with a film thickness of 0.52 pm 5% phenyl / 95% dimethylpolysiloxane. The GC temperature programme was 3 min at 40°C then raised at 20"C/min to 320°C and held at that temperature for 20 min. A solution of 100 pg/mL of the reference substance was prepared for the measurement in the GC-MS. As a check and also for substances that could not be analysed by GC-MS, mass spectra were also obtained in a second laboratory using different instrumentation and conditions.

7

8

Direct insertion probe MS spectra were acquired on a VG 7070 mass spectrometer. The substance dissolved in a suitable solvent was introduced into the mass spectrometer by the direct insertion probe heated at 350-400°C. In a small number of cases it was necessary to introduce the solid substance (for reasons of poor solubility) or to heat the probe to a higher temperature (for reasons of involatility). Electron impact spectra at 70 eV were recorded. Spectra were averaged and background-subtracted.

For particle - beam MS analysis, a VG Autospec magnetic sector mass spectrometer fitted with a VG LINC-Particle Beam Interface was used. Electron impact ionisation was used with 70 eV electron energy, a trap current of 500 pA and a source temperature of 250°C. The temperature of the expansion/desolvation chamber was set at 60°C. An HPLC pump was used to deliver the mobile phase (methanol) at a flow rate of 0.5 mL/min to the PB interface. The samples were dissolved in a suitable solvent at 1 mg/mL then diluted immediately prior to analysis to 100 pg/mL. Portions (10 pL) were injected to give a spectrum of appropriate intensity. The scan range was 40 to 1000 daltons with a 1.5 s scan time and an inter-scan delay of 0.5 s. The spectrometer was tuned using PFK to a resolution of better than 1000 and then calibrated. The nebuliser gas pressure and nebuliser position were optimised using 50 pL injections of 1 .O pg/mL caffeine solution.

NMR spectra

'H-NMR spectra were recorded using a Bruker AC 250 spectrometer (250 MHz) to average 16 scans of a 30 mg/ml solution of each additive at 25°C in CDCl, containing tetramethylsilane (TMS). Where solubility in CDC1, was poor, an alternative solvent was used and this is noted on the spectrum. For substances with a complex spectrum, a greater number of scans were averaged and this is also noted.

9

CAS No. PM Ref. No. Restrictions Formula Molecular weight

Alternative names

Acids, fatty (C14-Cls), alkyl (Cl,-C,s) ester

Phvsical Characteristics

Handling Safety Availability

Current uses Applications

GC Retention time

- 85566-24-1 - 31304 - None

- White flakes, mp 46 - 51°C. - Soluble in ether, hexane, toluene, chloroform,

dichloromethane.

- Store at room temperature.

- Standard sample was supplied.

- Lubricant. - General use.

- 53.3, 55.9, 58.2, 60.6min.

10

*

0 O 'E 0 0 CT

0 0

0

N 7

0 0

0 CT m 7

0 0

0 L n Ln

N

0 0

0

N m m

0 0

0 0 0

0 9 - 0 0

0 N

3

4 c.l

0 0 0

11'1 0 -

0 0 0

m m

0 0 0

h 7

0 0 0

h m

CAS NO. 85566-24-1

11

PM Ref. No. 31304

ACIDS, FATTY (C 14-c 18), ALKYL (C 14-c 18) ESTERS

Peak wavenumbet 407.0 719.5 729.2 1182.5 1 199.9 1221.1 1311.8 1377.3 1464.2 1473.8 1732.3 2849.2 291 6.7 2957.2

Yo T 74.0 85.1 86.4 75.8 79.6 86.5 90.9 89.9 75.8 76.6 58.5 33.0 24.7 62.5

3elative intensity 34.6 19.7 18.1 32.1 27.1 18.0 12.1 13.4 32.1 31.1 55.1

88.9 100.0 49.8

12

100 -

80 -

60 -

40 -

20 -

Acids, fatty (c1443, alkyl (C14-cl8) ester

L3

57 I

178 ll ,“t g17 I

100 200 300 400

M/Z Ion Intensity (%)

43 57 69 71 73 83 84 85

Spectrometer Inletsystem Source Temperature Electron Energy Scan Range

100.0 78.2 31.4 34.0 15.5 34.6 13.7 19.8

: Finnigan Mat SSQ 700 : Capillary GUMS : 180°C : 70 eV : 40-500

M/Z

97 111 168 213 239 257 424

Ion Intensity (%)

28.8 17.7 34.1 6.2 6.4

41.2 3.7

13

Acids, fatty (C1&J, alkyl (Cld-CIR) ester

3

MJZ

41 43 57 69 71 73 83

Ion Intensity (%)

55.4 100.0 73.9 32.3 39.7 17.2 34.9

M /Z

97 111 112 125 168 257 285

Ion Intensity (%)

22.7 9.5

11.3 10.8 21.2 14.3 12.9

Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV

: Finnigan Mat S S Q 700

Scan Range : 40-500

14

Acids, fatty (c14-c18)7 alkyl (c14-&) ester

100

8 0

60

40

20

43

50 100 150 2 0 0 250 300

M/Z Ion Intensity (%) M/Z Ion Intensity (%)

41 32.7 43 100.0 57 85.6 69 35.2 71 50.4 73 11.2

83 37.6 85 24.6 97 27.2 111 19.0 125 7.2 257 32.4

Spectrometer Inlet system : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV

: Finnigan Mat SSQ 700

Scan Range : 40-500

15

Acids, fatty (C14-C18), alkyl (C14-C18) ester

2 57

160 260 360 460

2 57 I

4-Lk-L 2 0 0 '"i" 300 - 160

MIZ Ion Intensity (%) M/Z Ion Intensity (%)

41 43.7 43 100.0 57 99.0 69 35.9 71 39.4 73 16.4 83 36.6

85 24.3 97 30.2 111 13.3 125 11.2 224 10.5 257 32.4



Scan Range : 40-500

85566-24-1

16384

17

Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-

methylphenyl ester


Alternative names

tert I

Physical Characteristics

Handling, Safety Availability


GC Retention time

- 61167-58-6 - 31520 - SML = 6.0 mg/kg

- 394 - C26H3403

- 2-( l,l-Dimethylethy1)-6-[[3-( 1,l-di-methylethy1)- 2-hydroxy-5-methylphenyl]methyl]-6-methylphenyl - acry 1 ate

- White granules, mp 131.9"C. - Soluble in acetone, chloroform, dichloro-

methane.



- Antioxidant. - Non polyolefins.

- 47.1 min.

18

0 0 0

Ln 0 -

- : g 0

w

0 0

0 N

7 -

0 0

0 v m -

0 0

0 L D Ln N

0 0

0

N D

m

0 0

0 0 0

0 - 0 0

0

V =f ..

CAS NO. 61167-58-6

19

PM Ref. No. 31520

ACRYLIC ACID,2-TERT-BUTYL-6-(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)- 4-METHYLPHENYL ESTER

Peak wavenurnbe 420.5 464.9 524.7 775.5 787.1 804.4 658.4 885.4 916.3 931.7 985.7 1012.8 1028.2 1088.7 1111.1 1163.2 1 180.6 1217.2 1226.9 1257.7 1296.3 1325.3 1360.0 1379.3 1388.9 1406.3 1439.1 1477.7 1508.5 1599.2 1633.9 1655.1 1686.0 1730.4 2868.5 2916.7 2957.2 3005.5 3493.5

% T 90.3 67.7 79.7 66.7 75.0 38.5 38.4 73.9 65.4 76.4 28.3 78.6 68.3 75.9 31.3 3.7 2.7 30.2 25.7 42.3 25.5 51.1 39.6 70.3 53.5 16.1 34.0 33.0 84.4 78.3 42.1 85.1 79.1 8.6 38.1 33.4 18.2 53.5 13.3

?elative intensity 10.0 33.2 20.9 34.2 25.7 63.2 63.3 26.8 35.6 24.3 73.7 22.0 32.6 24.8 70.6 99.0 100.0 71.7 76.4 59.3 76.6 50.3 62.1 30.5 47.8 86.2 67.8 68.9 16.0 22.3 59.5 15.3 21.5 93.9 63.6 68.4 84.1 47.8 89.1

20

Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbe~yl)-4-

91

7 7 9 ' I I I

100 ,

40

20

133

I l l Ill I

methylphenyl ester

3:

2 6,3

121

105 1

M/Z Ion Intensity (%) M/Z

41 55 57 91 105 121 161 177 263


22.7 92.8 74.2 10.4 14.1 16.5 43.3 29.6 47.4

: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV : 40-400

265 319 339 340 361 3 62 376 3 94 395

3 9 4

376

L Ion Intensity (%)

10.0 13.2 51.9 12.1

100.0 22.1 13.5 43.7 11.4

22

C2H5 I

4


Alternative names


Handling

Availability Safetv


Adipic acid, bis(2-ethylhexyl) ester

- 00103-23-1 - 31920 - SML = 18 mg/kg - C22H4204 - 370

- Hexanedioic acid, bis(2-ethylhexyl) ester, Di(2-ethylhexyl) adipate, Dioctyl adipate

- Colourless liquid, mp -67.8"C, bp 360°C. - Soluble in alcohol, ether, acetone, acetic acid.



- Plasticizer. - PVC, PVDC, coatings, paper.

GC Retention time - 45.0 min.

23

0 0 0

In 0

I I 1 I I I I I C

0 0 0 - m

0 0 0

N P

- 0 '

0 0

0 D

0 N r 7

0 0

0 v m F

0 0

0 0 In N

3 3

3 D u -I

0 0 0

N 7

J 0 0 - 0 0

0

p" M

I \

24

CAS NO. 00103-23-1

ADlPlC ACID, BIS(2-ETHYLHEXYL) ESTER

Peak wavenumbei 455.3 484.2 501.6 731.1 771.6 904.7 966.5 1014.7 1062.9 1078.3 1142.0 1172.9 1242.3 1360.0 1383.1 141 9.8 1464.2 1738.1 2862.7 2874.3 2934.1 2959.2 3454.9

Yo T 92.0 93.6 94.6

86.6 89.3 84.1 77.7 77.6 74.0 37.0 25.4 40.5 64.0 57.2 73.3 40.9 9.85 31.63 30.47 13.80 14.48 90.07

88.0

PM Ref. No. 31920

qelative intensity 8.8 7.2 6.0 13.3 14.8 11.9 17.6 24.7 24.9 28.8 69.9 82.8 66.0 39.9 47.5 29.6 65.6 100.0 75.8 77.1 95.6 94.9 11.0

25

Adipic acid, bis(2-ethylhexyl) ester

70

65

55

50

.-x100.00-* PM31920

M I Z

43 55 56 57 69 70 71 83 84 87

Ion Intensity (%)

20.8 30.4 11.6 45.6

8.7 31.7 32.4 16.0 10.5 7.0

MJZ

100 101 111 112 113 129 130 147 24 1 259

6.7E.5

6.3E5

6.OE5

5.6E5

5.3E5

4.9E5

4.6E5

4.2E5

3.9E5

3.5E5

3.2E5

2 , BE5

2.5E5

2.1E5

1. BE5

1.4E.5

1.1E5

7.OE4

3.5E4

0 . OEO I M I -

Ion Intensity (%)

5.5 10.1 14.7 40.1 18.1

100.0 5.9

25.9 11.5 9.4

Spectrometer : VG Autospec Inletsystem Source Temperature : Electron Energy : 70 eV

: Flow injection particle beam MS

Scan Range : 40-1000

27


Alternative names




Adipic acid, dibutyl ester

GC Retention time

- 00105-99-7 - 32240 - SML = 3.0 mg/kg - C,4H,,O, - 258

- Hexanedioic acid, dibutyl ester Dibutyl adipate

- Colourless liquid, mp -32.4"C, bp 305°C. - Soluble in alcohol, ether, acetone, acetic acid.



- Plasticizer. - General use.

- 33.2 min.

28

0

0 N *

0 0

ro m - c

0 0

N in

m

0 0

ro in N

m

0 0

W

N m cu

0 0

0 0 D -

O W 0 0

0 m

0 0 0

in *

0 0 0

0 ro

0 0 0

in P-

0 0 0

O m

0 0 0

L l 0 -

a3UtJq TUSUtJl X

CAS NO. 00105-99-7

ADlPlC ACID, DI-N-BUTYL ESTER

Peak wavenurnbc 414.8 434.0 455.3 470.7 51 1.2 586.4 667.5

947.2 1024.3 1076.4

1180.6 1242.3 1360.0

1421.7 1462.2 1504.7 1730.4 2766.3

2945.7 31 15.4 3138.6 3206.1 3233.1 3269.7 3294.8 3304.5

3341.1 3379.7 3418.3 3443.4 3472.3 3634.3 3659.4

3705.7

738.8

I 147.8

1392.8

2874.3

3323.8

3686.4

% T

78.2

84.0 82.4 88.8

78.7

77.2

94.2 93.1

83.0

73.9 55.6 32.3 19.0 28.2

50.9 61.4 42.0

11.5 91.2 34.9 20.8 68.8 71.2 67.4 65.2 63.2 61 .O

48.6

88.9

57.8 58.8 59.1 53.0 49.5 46.9 46.9 77.2

81.9 80. 1

87.1

29

PM Ref. No. 32240

ielative intensity 25.8 24.6 6.6 7.8 18.1 19.9 12.7 19.2 24.0 29.5 50.2 76.5 91.5 81 .I

55.4 43.6 65.5 12.5

100.0 10.0 73.5 89.5 35.2 32.5 36.8 39.4 41.6 44.0 47.7 46.5 46.2 53.1 57.1 60.0 60.0

22.5 20.4 14.6

58.0

25.8

30

Adipic acid, dibutyl ester

1 3 9 45 50

M/Z

29 41 43 55 56 57 83 87

1

_12

127 1

1

143 156 , , I , , , ,

150

Ion Intensity (%) M/Z

I

273 2 5 8

I I . , 1 I ' I

200 250

45.4 47.8 20.7 50.7 44.9 28.8 17.8 30.1

Spectrometer Inletsystem

: Finnigan Mat SSQ 700 : Capillary GUMS

Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 25-500

100 101 111 129 143 156 185 186

Ion Intensity (%)

23 .O 24.9 53.9 84.7 26.3 23.7

100.0 10.0

32


Alkyl (C,,-C,,)benzenesulphonic acid, sodium salt

S-ONa

0 U

Alternative names




GC Retention time

- 33800 - None

- Light beige past. - Soluble in water, alcohol, ether.

- Store at room temperature. - Irritant. - Preparation in aqueous solution.

- Antistatic agent, emulsifier. - PP, PVC.

- Alkyl (C,,-C,,)benzenesulphonic acid cluster 28.3 - 39.9 min.

33

I - s

0 0 0

m 0 c

0 0 0

r- W

0 0 0

LI, I0

- S'E 80 *

0

0 9

2 F

0 0

0 * m

0 0

0 W m N

0 0

0

cu rn m

0 0

0 0 0

o w 0 0

m

0 0 0

m m 7

1 %

34

CAS No. PM Ref. No. 33800

ALKYL(C 10-C 13) BENZENESULPHONIC ACID

Peak wavenumbed % T I Relative intensitv 445.6 468.8 584.5 61 1.5 692.5 833.4 1012.8 1045.6 1132.4 1 197.9 1466.1 1496.9 1603.0 2855.0 2924.4 2957.2 3437.6

89.5 91.1 65.1 72.5 68.8 75.3 55.5 43.6 41.4 21.1 71.6 89.2 85.1 39.5 20.5 40.1 70.1

13.2 11.2 43.9 34.6 39.3 31.1 56.0 71 .O 73.7 99.3 35.7 13.6 18.8 76.2 100.0 75.4 37.6

35

100 -

80 -

60 -

40 -

20 -

28

g 1 ,,I ,


p-49 1_62 177 188 20p I , , . I , , ,, 1 1 , I /

9

14 I

, 2 , i ~ ,

100

MIZ Ion Intensity (%)

41 7.5 43 6.4 57 6.7 59 6.1 74 8.1 91 100.0

147

I 1611 21$


104 5.3 105 21.1 147 21.7 161 9.2 218 10.2 219 0.4

Spectrometer Inletsystem : Capillary GUMS Source Temperature : Electron Energy : 70 eV


Scan Range : 40-500

36


9

161 I

I 105

I 119 133 189

I I 147

5b 150 200 250

MIZ Ion Intensity (%) MIZ Ion Intensity (5%)

41 13.9 43 10.3 55 9.5 57 5.0 91 100.0 92 6.1

105 17.9 119 4.5 133 4.4 161 19.6 189 5.3

Spectrometer Inlet system : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV


Scan Range : 40-500 . .. CI

3 1

1117 1?3 \47 1,154 21? I, I I , I I


241 322 I 1

5b 1 6 0

05

MIZ Ion Intensity (%) MIZ Ion Intensity (%)

41 16.28 43 8.6 79 7.4 91 16.5

Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180' C Electron Energy : 70 eV


Scan Range : 40-500

105 100.0 106 7.9 232 8.1

39

Alkvl (C,,-C,,,)sdphonic acid, esters with phenols


Alternative names




GC Retention time

R-S-0

- 34240 - SML = 6.0 mg/kg

- Colourless liquid. - Soluble in water, alcohol, ether



- Plasticizer. - PVC.

- Cluster 40.9 - 52.0 min.

40

t -

I I I I I I I I

0

0 0 0

0 0

0 N

7 7

0 0

0 w

E

0

0 0 Ln N

9

0

0

N m

9 m

0

0 9

R - o w 0 0

0 N

0 0 0

h m

0 0 0

0 0

7 w h Ln

0 0 0 0

Ln 0

g 0

m m -

a 3 u e q l y s u e J l

CAS No.

41

PM Ref. No. 34240

ALKYL (C 1 0 4 20) SULPHONIC ACID, ESTERS WITH PHENOLS

Peak wavenumbe 414.8 439.8 542.1 621.2 688.7 729.2 775.5 860.4 91 0.5 1024.3 1 145.9 1 169.0 1 192.2 1352.3 1489.2 1589.5 2855.0 2928.3

% T 88.7 88.2 85.2 88.1 62.0 68.5 56.0 28.2 83.1 85.8 27.4 52.7 50.6 45.9 41.6 78.3 46.6 27.60

Relative intensity 15.6 16.3 20.4 16.4 52.3 43.4 60.6 98.8 23.3 19.6 100.0 65.1 68.0 74.4 80.4 29.9 73.5 99.7

42

Alkyl (C,,-C,)sulphonic acid, esters with phenols

MIZ

41 43 55 56 57 65 69

Ion Intensity (%)

17.5 21.0 19.7 6.5

17.3 5.3

12.5

MIZ

70 71 83 85 94 95 97

Ion Intensity (%)

5.4 9.0 7.8 5.0

100.0 9.7 5.9

Spectrometer : VG Autospec Inletsystem Source Temperature : Electron Energy : 70 eV


Scan Range 40-1000

43

i

I

44

Azelaic acid, bis(2-ethylhexyl) ester


Alternative names




GC Retention time

- 00103-24-2 - 36320 - SML = 3.0 mg/kg - C25H4804 - 412

- Nonanedioic acid, di(Zethylhexy1) ester, Di(Zethylhexy1) azelate

- Colourless liquid, mp -78°C

- Soluble in alcohol, acetone, benzene. bp 208 - 210°C (4 IIXII Hg).



- Plasticizer. 2 PVC, PVDC, inks.

- 49.6 min.

45

0 0 0

0 m

..

0 0

0 UY ln N

0 0

0

N m m

0 0

0

0 - 0 0

0

8 ..

46

CAS NO. 00103-24-2 PM Ref. No. 36320

AZELAIC ACID, BIS(2-ETHYLHEXYL) ESTER

Peak wavenumbe 410.9 437.9 729.2 773.6 962.6 1010.8 1093.8 1 174.8 1228.8 1360.0 1381.2 1421.7 1464.2 1738.1 1863.5 2860.8 2932.2 3738.5

% T 73.4 66.9 66.6 70.2 70.1 62.8 61.4 18.7 32.9 53.3 45.8 59.7 30.4 6.4 75.7 17.9 6.3 75.8

3elative intensity 28.4 35.3 35.7 31.8 31.9 39.7 41.2 86.8 71.6 49.9 57.8 43.1 74.3 99.9 26.0 87.6 100.0 25.8

47

100 -

80 -

60 - - 57,

40 - 7;

8

20 -

Azelaic acid, bis(2-ethylhexyl) ester

1/2 283

189 I 301 I 2 p l 241 265

1 / , , I , I 1 " " " " ' 1 " " " " ' 1 " " '

2 0 0 300 400


41 43 55 56 57 70 71 83

22.3 29.1 31.4 11.3 53.8 33.9 34.1 18.3

84 112 113 152 171 172 283 301

Ion Intensity (%)

10.5 29.9 11.1 9.7

100.0 9.1 9.7 5.0



Scan Range : 25-500

49

Azelaic acid, bis(6-methylheptyl) ester


Alternative names



Current uses Auulications

GC Retention time

- 00106-03-6 - 36400 - SML = 3.0 mg/kg - C,,H,,O, - 412

- Di(6-methylheptyl) azelate, Dioctyl azelate, Nonanedioic acid, di(6-methylheptyl) ester

- Colourless liquid, - Soluble in alcohol, acetone, benzene.



- Plasticizer. - PVC, PVDC.

- Cluster 48.8 - 51.5 min.

- Contains other octyl isomers.

50

<

I I I I I I

0 0 0

d

0 0

Ln 9

0 m

0 0 0

m u3

0 0

cu * 9

0 0 9 - cu

.. 'E! e

d

0

0 9

2 c

0 0

0 * z

0 0

0 0 In cu

0

0

m

9

$?l

0 0

0 0 0

o w 0 0

0

CAS NO. 00106-03-6

51

PM Ref. No. 36400

AZELAIC ACID, BIS(6-METHYLHEPTYL) ESTER

Peak wavenumbei 414.8 426.3 451.4 727.3 993.5 1093.8 1172.9 1246.2 1365.8 1381.2 1421.7 1464.2 1738.1 2872.4 2930.2 3337.3 3391.3

% T 76.2 92.1 90.1 89.8 86.1 68.8 17.5 34.0 50.5 49.9 68.6 34.9 6.9 22.2 7.0 87.5 81.3

qelative intensitv 25.6 8.5 10.6 11.0 15.0 33.5 88.7 70.9 53.2 53.9 33.8 69.9 100.0 83.6 99.9 13.4 20.1

52

Azelaic acid, bis(6-methylheptyl) ester


41 42 43 55 56 57 69 70 71 83


100.0 81.0 34.4 33.7 21.5 57.7 41.1 19.6 35.6 20.2

84 97 111 112 113 129 152 171 185 283

: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000

23.3 13.5 6.1

16.6 10.4 6.7 8.6

34.4 11.7 17.8

54


Alternative names




GC Retention time

07128-64-5 38560 SML = 0.6 mglkg

430 C26H26N202S

2,2’-(2,5-Thiophenediyl)bis(5-tert-butyl- benzoxazole)

Yellow powder, mp 196 - 203°C. Soluble in acetone, toluene.

Store at room temperature.

Standard sample was supplied.

UV-stabilizer, optical brightner. General use.

64.8 min.

55

0 0 0

Ln 0 -

0 0 0

0 r

0 0 0

h h

0 0 0

m 0

0 0 0

m w

r

0 'a Ep

0 0

0

$I c

0 0

0 cr

m

0

0 u3 n N

9

g 0

N m m

0 0

0 0 0

o w 0 0

Ln m

Y a4 =I k

, 3 ..

B z

56

CAS NO. 07128-64-5 PM Ref. No. 38560

Peak wavenumber 418,6 459,l 501,6 522,8 648,2 677,l 71 5,7 756,2 808,3 835,3 877,7 906,7 918,2 931,7 999,3 1026,3 1 122,7 1 196,O 1221,l 1253,9 1265,5 1307,9 1334,9

1363,8 1392,8 1425,6 1446,8 1464,2 1477,7 1504,7 1579,9 1612,7 2866,6 2901,3 2955,3

i 34a,4

?'o T 72,5 89,9 92,l 93,4 73,9 91,7 52,O 92,9 38,9 80,8 70,5 82,4 89,l 84,8 77,O 44,9 83,5 57,O 75,4 60,4 53,4 80,9 70,l 59,7 71,7 86,4 75,O 72,4 71,4 56,7 62,4 46,2 150 74,4 72,2 54,3

Relative intensity 45,l 16,6 13,O 10,8 42,8 13,6 78,7 11,6 100,o 31,5 48,4 28,9 17,9 24,9 37,7 90,4 27,l 70,5 40,3 64,9 76,4 31,3 49,O 66,l 46,4 22,3 41 ,O 45,3 46,9 71 ,O 61,7 88,2 139,4 42,O 45,6 74,9

57

.

100

80

60

40

20

415

l p 5 2 0,o

1?3 172

2 0 7 I? I

103 A 1 1 186 2F7

239 2 84 331 359 387 73 8 9 1Zp 166

1

1 1 111 I I8II II I l l l , h , , I , , ! I , - , ' ' I "

4 3j

I , I , ) , , , , , I , , ,

MIZ Ion Intensity (%) MIZ

41 77 79 103 105 133 172 186 200

10.1 17.4 11.5 11.3 30.9 22.3 22.2 9.6

31.1

267 415 416 417 430 43 1 432 433

Ion Intensity (%)

9.8 66.3 16.5 5.2

100.0 27.6 7.5 1.5



Scan Range : 40-500

0 38560 Solvent CC Name 2,5-BlS(5-tert-BuTYL-2-BENZOXAZOLYL,) THIOPHENE

SW 31:

59

N,N’-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl) hydrazide


Alternative names

t e r t . Butyl>

/

t e r t . Butyl

- 32687-78-8 - 38800 - SML = 15 mg/kg - C34H52N204 - 552

- 1,2-Bis(3,5-di-tert-buty1-4-hydroxy-hydro- cinnamoy1)-hydrazine

Physical Characteristics - White powder, mp 225 - 227°C. - Soluble in most organic solvents.

Handling,

Availability


- Standard sample was supplied. Safety - Harmful.

Current uses Amlications

- Antioxidant. - Polyolefins, styrene co-polymers, polyacetals.

G C Retention time - 65.4 min.

60

0 3 0

0 n

0 9L

I

i z .. E 2"

CAS NO. 32687-78-8

61

PM Ref. No. 38800

N,N'-BIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPlONYL) HYDRAZIDE

Peak wavenumber 420,5 569,l 61 5,4 665,5 708,O

769,7 877,7 918,2 993,5

1 122,7 1 147,8 1 180,6 1205,7 1232,7 1275,l 1319,5 1360,O 1388,9 1414,O 1435,2 1485,4 1551 ,O 1612,7 1664,8 1676,3 2920,6 2961,l 3238,9 3618,9 3644,O

% T 65,O 88,2 89,2 89,8 83,7 83,5 79,4 90,9 86,2 70,7 61,9 80,5 74,2 50,4 84,4 71,7 70,O 88,8 86,8 46,3 59,O 84,4 84,3 50,O 43,l 63,4 45,4 57,2 53,O 81 ,O

Relative intensity 61,6 20,8 19,o 17,9 28,7 29,O 36,2 16,O 24,3 51,5 67,O 343 45,4 87,2 27,4 49,8 52,8 19,7 23,2 94,5 72,l 27,4 27,6 88,O 100,o 64,4 96,O

75,3 82,7 33,4

62

N,N'-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl) hydrazide

1.3El

I. 2El

1.217

1.111

1,017

9.616

9 . 0 1 6

259 8.3E6

1.616

6.9E6

6.216

5.5E6

k.8E6

211 1.1E6

3.4E6

2.816

2.1E6

316 1.1E6

6.915

, , , 0.0EO

531

496 552 292

nl

M I Z Ion Intensity (%) MIZ Ion Intensity (%)

55 57 69 91 101 119 147 161 188 203


54.6 98.8 32.5 37.4 28.8 31.3 82.8 30.1 66.9 75.5

213 219 220 224 259 277 496 534 552 553


42.9 100.0 31.9 76.7 60.1 30.7 15.9 21.1 15.3 5.8

64

Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite

0 I1

t e r t . Buty l t e r t . Buty l

b


Alternative names



Current uses ADplications

GC Retention time

- 26741-53-7 - 38820 - SML = 0.6 mg/kg - C,,H,,O*P* - 636

- White powder, mp 160 - 175°C. - Soluble in toluene, acetone, dichloromethane.

- Store at room temperature. - Irritant. - Standard sample was supplied.

- Stabilizer. - PET, PC, PVC, polyolefins.

- 65.1 min.

65

0 0 0

in

0

0 0 0

w m

- ? '6 0

* 0 0

0

0 9

2 7

0 0

0 w m 7

0

0 u3 in cu

?

0

0

N I T

9 m

0 0

0 0 0

o w 0 0

0

66

CAS NO. 26741-53-7 PM Ref. No. 38820

BIS(2,4-DI-TERT-BUTYLPHENYL)PENTAERYTHRlTOL DIPHOSPHITE

Peak wavenumbe 418.6 482.3 499.6 580.6 644.3 663.6 677.1 694.5 735.0 767.8 779.3 796.7 823.7 856.5 889.3 910.5 968.4 1016.6 1068.7 1088.0 1145.9 1 192.2 1226.9 1273.2 1361.9 1387.0 1402.4 1460.3 1495.0 1605.0 2868.5 2930.2 2957.2 3404.8

% T 47.9 88.3 76.1 77.8 75.9 70.0 73.7 44.3 21.9 26.9 37.4 73.5 53.0 20.5 83.5 52.2 73.4 10.48 66.00 45.14 31.21 36.99 20.98 72.21 50.75 78.32 68.42 61.33 27.09 90.55 52.48 41.48 20.55 88.05

qelative intensity 58.2 13.1 26.7 24.8 26.9 33.5 29.4 62.2 87.3 81.6 70.0 29.6 52.5 88.8 18.4 53.4 29.7 100.0 38.0 61.3 76.8 70.4 88.3 31 .O 55.0 24.2 35.3 43.2 81.4 10.6 53.1 65.4 88.7 13.4

67

Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite

100

8 0

6 0

40

20


41 53 55 57 83 91 117 147 159

16.2 14.1 11.4

100.0 15.6 4.8

37.5 22.8

5.3



Scan Range 40-700

191 215 23 7 279 287 399 589 604 605

6.7 11.4 5.4

34.6 37.7 9.4 4.9

21.8 7.4

26141 -53-7 BIS (2,4-DI-TERT-BUTyLPENYL) PENTAERYTHRITOL DIPHOSPHITE

16384 SW 3125 NS 32

69


Alternative names




Bis(4-ethslbenzslidene) sorbitol

tn,-+n-+n-cn,-on

- 79072-96-1 - 38950 - None - C24H3006 - 414

- White powder, mp 212 - 226°C.



- Nucleating agent. - PP.

GC Retention time

70

0 a 0

Ln

f2

0 0 0

Ln m

0 0

m N

0 0 0

*

0 0 a

r. Ln

9 m

a w e p , y s u e d l ,y

0 0

0 v m -

0 0

0 m N rn

0 0

0 0 0

0 - 0 0

0 -

3

CAS NO. 79072-96-1

BIS(4-ETHYLBEN2YLIDENE)SORBlTOL

Peak wavenurnbe 414.8 451.4 466.8 430.5 551.7 563.3 513.4 661.7 721.5 758.1 783.2 835.3 883.5 900.9 945.2 980.0 1016.8 1045.6 1049.1

1068.7 1094.6 1134.3

1169.0 1225.0 1246.2 1263.5

1311.8 1329.1 1342.6 1371.6 1400.5 1421.7 1458.4 1418.2 1618.5

1701.4

2870.4

2932.2 2959.2 3030.5 3063.3 3225.4 3590.0

% T 91.0 95.0 93.4 86.1 83.4 65.3 63.9 72.0 75.7 75.4 64.6 31.5 75.2 89.5 70.7 42.8 18.0 51.5 41.3 37.5

13.0 56.9 45.5 63.9 81.2 70.4 63.1 49.8 34.6 48.2 33.0 43.1 49.8 71.6 82.9

90.6

46.9

47.0 32.7 72.1 71.9 31.4 90.9

ielative intensity 10.3 6.1 8.0 17.0 20.2 42.3 44.0 34.1 29.6 30.0 43.2 83.5

30.2 12.8 35.7 69.8 100.0 59.1 71.6 76.2 106.1 52.6

66.5 44.0 22.9

36.1 45.0 61.2 79.8 63.2 81.7 69.4 61.2 34.6

20.9

11.5

64.8

64.6 82.1 34.0 34.3 83.7 11.1

71

PM Ref. No. 38950

P ' 8 I 2'22 L'9I 9'01 P'OI S'EZ S'L S'ZS 1.8 T'L

~

i

i

/ 5E 1

S I P P I P ESE LEZ ZEZ 022 902 LLI IS1 0s I

6 1 l

9'9 9'EL I ' 6 P 0'001 L'PI L'SS 0'02 6'21 9'8 S'ZZ

!I

9EI SEI PET EEI 621 61 1 SO T

16 18 6L

P

-0ot EEI

ZL

74


Alternative names

N , N-Bis (2-hy droxy ethyl) alkyl ( C8-C 3 amine




- 71786-60-2 - 39090 - SML = 1.2 mg/kg as free amine

- Slightly yellow liquid, mp -2°C. - Soluble in acetone, hexane.

- Store at room temperature. - Strongly alkaline. - Standard sample was supplied.

- Antistatic agent. - PS, PVC, PE, PP.

GC Retention time

75

Y

3 0 3

.r W

0 0 0

In 0 -

0 0 0

N

0 0 0

N v

0 0 0

m 0 7

a w q J y s u e J 1

- 3 <g 0 0 v

0 0

0 N

v- -

0 0

0 T W -

0 0

0 u3 In N

D

0

N

9 m n

0 9

& M

.. 0 0 0

0 - D 0

0

76

CAS NO. 71786-60-2 PM Ref. No. 39090

N,N-BIS(2-HYDROXYETHYL)ALKYL (C8-CI8AMINE)

Peak wavenumbe 414.8

437.9

451.4 534.4

559.8

559.4 723.4

779.3 1045.6

11 55.5

1240.4

1288.6

1377.3

1468.0

2735.4 2855.0

2924.4 3345.0

% T 93.2 93.9

94.9 94.9 94.6

94.0 62.7

46.4 44.7

81.5

84.1

80.7

70.2

49.9 88.2

18.7

7.7 51 .O

?elative intensity 7.4 6.6

5.5 5.5

5.9 6.5

40.4

58.1 59.9

20.0

17.2

20.9

32.3

54.3

12.8 88.1

100.0 53.1

77

80

70-

60

50

40

8s

N, N-Bi~(2-hydroxyethyl)alkyl(C~-C,~)amine

256

I

204


41 8.0 43 100.0 49 12.0 74 15.3 88 31.3 118 100.0

255 24.7 256 65.3 284 29.3 285 6.0 288 23.3

Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400 O C Electron Energy : 70 eV Scan Range : 40-1000

Solvent CDCL3 (=)(CASnO) Name 71786-60-2 N,N-BIS(2-HYDROXYETHYL)ALKYL(Cs-C I 8)AMINE

16384

- ,& 1.0 0.5 0.0

79

C H r C H r O H I /

C i i H 2 3-L-N \ C H r C H r O H

CAS No. - 00120-40-1 PM Ref. No. - 39280 Restrictions - None Formula - C16H33NO3 Molecular weight - 287

Alternative names - Lauryl diethanolamide

Physical Characteristics - Colourless viscous liquid, mp 39°C. - Soluble in alcohol, methanol, ether.

Handlinq Safety Availability




- Antistatic agent. - General use.

GC Retention time - Degradation product Lauric acid 28.8 min.

80

0 0 0

Ln z 0 0 0

w CO

0 0 0

N 7

- : 'E 0 0 w

0 0

0

$I F

0 0

0 w CO -

0

0 \o Ln N

9

0 0

0 CO N m

0

9 0 0 0

0 - 0 0

0

3

? 0

2 ..

CAS NO. 00120-40-1

N,N-BIS(2-HY DR0XYETHYL)LAURAMIDE

Peak wavenumbe 41 0.9 428.3 457.2 486.1 513.1 538.2 598.0 61 9.2 644.3 723.4 862.3 920.2 943.3 1053.3 1 163.2 1213.4 1296.3 1369.6 1427.5 1468.0 1566.4 1622.3 2513.6 2687.2 2853.1 2924.4 3090.3 31 15.4 3275.5

Yo T 88.5 86.2 87.1 90.7 85.4 89.4 89.4 86.7 89.7 84.5 83.0 89.5 86.5 22.0 86.1 69.8 60.6

45.85 28.42 20.54 39.24

14.25 82.54 66.60 5.52 1.11

39.16 35.93 14.74

81

PM Ref. No. 39280

3elative intensity 11.6 14.0 13.0 9.4 14.8 10.7 10.7 13.4 10.4 15.6 17.1 10.6 13.6 78.8 14.1 30.5 39.8 54.8 72.4 80.3 61.4

86.7 17.7 33.8 95.5 100.0 61.5 64.8 86.2

82

N, N-Bis(2-hydroxyethy1)lauramide

PM39210

MJZ Ion Intensity (%) MJZ

41 43 55 57 69 70 85

21 .o 99 22.7 112 15.8 114 14.0 115 6.3 126

11.7 129 7.1 142

Ion Intensity (%)

17.8 12.6

100.0 6.5 6.2 8.2 7.5

Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV



83

1 3 8

Lauric acid

1s 8

60 7 3 I

9

M/Z

41 42 43 55 56 57 60 61 69 71

Ion Intensity (%)

84.1 18.9 87.4 59.9 14.6 51.8

100.0 16.6 28.0 25.2



Scan Range : 40-500

14,3 'T 171


73 83 85 87 97 101 115 129 157 200

96.6 14.5 23.0 15.0 9.3

11.9 15.24 33.1 18.0 10.0

85


Alternative names


t e r t . Butyl\

C8HI.7 I s

/ t e r t . Butyl S

I C8HI.7



GC Retention time

- 00991-84-4 - 40000 - SML = 30 mglkg - C33H,&OS, - 588

- Phenol, 4 4 (4,6-bis(octylthio)- 1,3,5-triazin- 2-yl)amino)-2,6-bis( 1,l-di-methylethy1)-

- White to light yellow crystalline powder,

- Soluble in benzene, acetone, hexane. mp 91 - 96°C.



- Antioxidant. - Styrene co-polymers, PP, rubber.

- 79.4 min.

86

is===-

0 0 0

‘p m

3

8 N v

0

8 - N

3

CAS NO. 00991-84-4

87

PM Ref. No. 40000

2,4-BlS(OCTYLMERCAPTO)-6-(4-HYDROXY-3,5-Dl-tert- - BUTY LAN I LI NO)- 1,3,5-TRIAZI N E

Peak w avenum be r 4 14,8 457,2 478,4 505,4 530,5 542,l 609,6 688,7 733,O 765,8 798,6 860,4 875,8 1043,6 1 1 16,9 1145,9 1 184,4 1201,8 1230,7 1253,9 1279,O 131 1,8 1377,3 1406,3 1439,l 1477,7 1493,l 1524,O 1570,3 1606,9 2764,3 2853,l 2924,4 2955,3 3107,7 31 55,9 3200,3 3246,6 3628,5

O/o T 82,8 89,9 92,4 93,2 94,3 89,O 72,4 88,5 72,l 68,7 66,O 68,l 72,O 52,7 73,5 50,5 50,8 62,5 375 23,4 28,4 70,9 19,2 53,7 25,l 36,8 22,5 7,7 25,4 46,9 91,l 37,5 21 ,o 27,9 63,5 79,7 77,8 61,6 59,O

Relative intensity 18,6 10,9 8 2 7,4 6 2 11,9 29,9 12,5 30,2 33,9 36,9 34,6 30,4 51,3 28,7 53,7 53,3 40,7 67,8 83,O 77,6 31,5 87,6 50,2 81,2 68,5 84,O 100,o 80,9 57,6 9,6 67,8 85,6 78,2 39,6 22,o 24,l 41,6 44,4

88

,

0 SiO do

2,4-Bis(octylmercapto)-6-(4-hydroxy-3,5-di-tert-butylanilino)- 1,3,5-triazine

1.lE7

1.617

1.501

1 . 4 1 7

1.391

1.2El

I . 211

1,187

9 .806

8 . 9 1 6

8 . 0 1 1

7.116

6.216

5.3ES

4.4E6

3.6E6

P. l I6

1.816

8 . 9ES

0.000 rn

9


41s

511

1 6 4 I

289 231 I

MIZ

41 43 55 56 57 69 70 71 83 23 1


62.6 100.0 49.1 29.4 79.8 29.4 20.2 19.6 17.2 20.2

273 289 364 476 477 53 1 54 1 588 589 590


Ion Intensity (%)

79.8 22.1 22.7 48.5 20.9 17.8 26.4 92.0 79.8 46.0

[ i) ('*"") 00991-84-4 2,4-BIS (OCTYLMERCAPTO)-6-(4-HYDROXY-

3,5-DI-TERT-BUTYLANILINO)- 1,3,5-TRIAZINI uj 163 84

I

90


Alternative names




- 110553-27-0 - 40020 - SML = 6.0 mg/kg - C,,H,OS, - 424

- 2,4-Bis((octylthio)methyl)-o-cresol

- Pale yellow liquid, mp approx. 14°C

- Soluble in most organic solvents. bp > 178°C (0.08 mm Hg).



- Antioxidant. - Styrene co-polymers, paraffin waxes, coatings.

GC Retention time

91

3 F!

* m

w N v

r>

0 0 -4.

0 0

0

2 L-

0 0

0 v m

3 0

0 rD L n n,

0 0

0

m 83

0 0

92

CAS NO. 1105532-27-0 PM Ref. No. 40020

Peak wavenumber 414,8 436,O 447,5 476,5 515,l

723,4 748,5 879,7 974,2 1020,5 1 153,6 1217,2 1286,7 1304,O 1350,3 1377,3 1468,O 1483,4

2855,O

2926,4 3308,3

'/o T I Relative intensity 89,7 92,4 95,O 89,2 86,7 76,O 76,5 83,6 89,7 79,l 69,5 41,4 64,4 66,6 74,3 72,6 42,6 30,4

16,l

52 64,6

10,9

8,O 5,3 11,4

14,O 25,3 24,8 17,3 10,9 22,o 32,2 61,8 37,6 35,2 27,l 28,Q 60,6 73,4 88,5

100,o 37,3

93

M/Z

41 43 47 55 56 57 69 70 83 91

p110020 1.

1.6E1

1.6E1

1.5E7

1.461

1.3E7

1.2E1

1.1El

1.OE1

9.516

0.6E6

1.066

6.9E6

6 . 0 1 6

5.215

4.3E6

3.4E6

2 . 6 1 6

1.116

121

Ion Intensity (%)

92.0 99.8 66.9 89.0 99.4 82.8 77.3 91.4 83.4 74.8

M/Z

112 133 134 135 136 146 279 280 424 425


VG Autospec : Flow injection particle beam MS


Ion Intensity (%)

64.4 82.8 96.3 98.8 72.4 79.8

100.0 73.6 27.7 8.5

95

Bisphenol A


Alternative names




GC Retention time

- 00080-05-7 - 40060 - SML = 3.0 mg/kg - C,,H,,O* - 228

- 2,2 Bis(4-hydroxyphenyl) propane

- Coarse powder, mp 150 - 155"C,

- Soluble in most organic solvents. bp 250 - 252°C (13 ITUII Hg).


- PVC, PC, epoxy phenolic coatings. - Monomer, stabilizer.

- 40.5 min.

96

0 0 0

0 - 0 0

In -r

0 0

h In

0 0 0 0

m

8 0 0 0 0

0 0 0

In 0 D 10 7 m m F

a3U'dJ$~iUSJeJl X

3

O 'E gfJ

0

0 N

9

F 7

0

0 -r 9

m

0 0

0 10 In N

0 0

0 m N m

0 0

.. i?

CAS NO. 00080-05-7

Peak wavenumbei 430.2 439.8 551.7 565.2 827.6

1 1 13.1 1147.8 1 176.7 1219.2 1294.4 1361.9 1435.2 1446.8 1510.5 1599.2 1612.7 2932.2 2965.0 3235.0 331 8.0

% T 94.4 94.9 76.5 80.3 57.3 88.3 85.5 63.2 57.9 80.5 78.4 76.2 73.5 51.2 72.1 74.5 87.5 76.55 73.00 66.18

97

PM Ref. No. 40060

BISPHENOL A

3elative intensity 11.4 10.5 48.0 40.2 87.5 24.1 29.6 75.4 86.3 40.0 44.2 48.8 54.3 100.0 57.2 52.2 25.7 48.0 55.3 69.2

8'9 2'82 Z'EI 0'001 6'8 1'9 9.82 9'8

622 822 P I 2 €12 s9 1 SET 61 I ST T

2.21 8'PZ 6'11 P'91 E'P 9'E O ' S 0'2 L'.9

LO T T6 LL S9 SS ES IS €9 I9

86

100

tert-Butyl-4-hydroxyanisole

OH

CAS No. - 25013-16-5 PM Ref. No. - 40720 Restrictions - SML = 3.0 mg/kg Formula - C,,H,,O, Molecular weight - 180

Alternative names - Butylated hydroxyanisole (BHA)

Physical Characteristics - Slightly yellow flakes, mp 48 - 55”C,

- Soluble in most organic solvents. bp 264 - 270°C (733 mm Hg).



GC Retention time

- Note


- Standard sample supplied. - Harmful.

- Antioxidant. - General use.

- 26.9 min.

- Mixture of 2-(main) and 3-(minor) isomers.

101

0 0 0

ln z

0 0 0 - m

* 9 8 w

0

0 N

9

F r

0

0 -+ 9

m c

0

0 \D Ln N

9

0

0

N m

9 m

0 9 0 0 0

0 - 0 0

0

3 0 VI c-4 * .

Y

..

102

CAS NO. 25013-16-5 PM Ref. No. 40720

tert-BUTYL-4-HYDROXYANISOLE (BHA)

Peak wavenumber 420,5 491,9 582,6 615,4 682,9 773,6 816,O 856,5 914,4 929,8 1020,5 1034,O 1074s 1 136,2 1 1 99,9 1226,9 1252,O 1280,9 13463 1358,l 1365,8 1392,8 1415,9 1452,6 1469,9 1487,3 1508,5 1632,O 1713,O 1851,9 2050,6 2453,8 2542,5 2698,7 2775,9 28413 2866,6 2914,8 2953,4 3003,5 3030,5 3130,9 33913

% T 70,5 50,5 75,l 86,3 58,l 23,5 20,l 32,8 413 773 23,9 16,7 46,5 38,5

11,2 29,5 26,8 34,O 33,2 25,8 353 10,4 27,2 16,6 31 ,O 10,o 80,5 54,6 77,8 84,l 89,2 88,l 87,O 89,9 47,6 33,4 27,O 14,4 313 66,4 88,8 9 3

4,o

Relative intensity 30,7 51,6 25,9 14,3 43,7 79,7 83,3 70,O 61,2 23,7 793 86,8 557 64,l 100,o 92,5 733 76,3 68,8 69,6 773 67,2 93,4 759 86,9 71,9 93,8 20,3 473 23,l 16,6 11,3 12,4 13,5 10,5 54,6 69,4 76,l 89,2 71,4 35,O 11,7 93,9

103

tert-Butyl-4-hydroxyanisole

1

77 91

I I 79

1

50 75 100 125 150


53 65 77 79 91 105 107 115

6.6 5.9

18.0 9.4

19.2 7.3 7.7 8.5

124 137 138 165 166 180 181

Ion Intensity (%)

7.6 77.8

8.8 100.0

11.3 44.7 5.0

Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV


Scan Range : 40-500

104

L

105


Alternative names

Citric acid, triethyl ester

0 I I




GC Retention time

- 00077-93-0 - 44640 - None - C12H2007 - 276

- Triethyl citrate

- Slightly yellow liquid, mp 78.5 - 79"C,

- Soluble in alcohol, ether, chloroform. bp 287°C decomposes.



- Plasticizer. - PVC, PVDC, CA, paper, inks, epoxy polymers.

- 30.6 min.

105 000

84 000

63 000 al 0 c m u u -4

E

5 42 000 c s

21 000

0 000

4000.00 3280.00

Name : CITRIC ACID, TRIETHYL ESTER

PM Nr :44640

2560.00 1840 00

CAS Nr : 0007-93-0

1120.00 400.

cm-'

KBr pellet

CAS NO. 00077-93-0

CITRIC ACID, TRIETHYL ESTER

Peak w aven u m be i 611.5 787.1 862.3 933.7 1026.3 1076.4 1097.6 1115.0 1 192.2 1300.2 1371.6 1446.8 1468.0 1741.9 2909.0 2941.8 2986.2 3497.4

% T 86.8 83.8 72.1 88.6 14.1 47.4 31.2 27.4 2.7 21.9 19.6 46.3 48.3 3.6 68.6 57.1 32.3 58.0

107

PM Ref. No. 44640

qelative intensity 13.6 16.6 28.7 11.7 88.3 54.1 70.8 74.7 100.0 80.3 82.6 55.2 53.2 99.2 32.3 44.1 69.6 43.2

108

100 -

80 -

Citric acid, triethyl ester

I I I

- 43. 2 0 -

87, 1 1 1 139

45 69 102 139

50 1 0 0 150

MIZ

27 29 42 43 56 60 69 84 87 111

Ion Intensity (%)

5.6 32.0 5.9

21.6 3.1 3.2 4.0 3.1 6.4 5.6

203 I

200

MIZ

115 129 130 139 157 158 203 204 213 23 1

Ion Intensity (%)

33.9 6.3 3.3 3.2

100.0 7.9

23.6 2.1 1.6 0.4



Scan Range : 25-500

110

Dibenzothiazyl disulphide


- 00120-78-5 - 46400 - None - C,,H,N*S, - 332

Alternative names - 2,2'-Dithiobis[benzothiazole]

Physical Characteristics - Pale yellow powder, mp 177 - 180°C. - Soluble in dichloromethane, benzene,

chloroform, acetone.



GC Retention time



- Accelerator, stabilizer. - Rubber, PVC.

- Degradation product 2-Mercaptobenzothiazole 53.9 min.

111

'---

0 0 0

m 0

0 0 0

u3 co

- 'g

8 -t

0 0

0 c F

0

0 -t

9

?

0 0

0 0 m cu

0

0

N m

9 m

0 0

0 0 s 8

2 0

..

112

CAS NO. 00120-78-5 PM Ref. No. 46400

DI B ENZOTH I AZY L DIS U LPH I DE

Peak wavenumbel 407.0 434.0 534.4 584.5 671.3 402.2 725.3 758.1 850.7 945.2 956.8 1005.0 1020.5 1080.3 1120.8 1 157.4 1238.5 1275.1 1311.8 1429.4 1454.5 1468.0 1560.6 1589.5 1801.7 1919.4 2853.1 2922.5 3051.8 3063.3 3372.0

% T 76.0 72.9 94.2 89.7 64.9 65.2 41.5 23.6 84.0 78.1 76.2 22.4 69.5 74.9 90.2 80.9 64.4 76.8 64.3 20.8 47.5 20.2 81.9 86.4 88.9 89.1 88.4 82.6 84.2 79.3 91 .o

qelative intensity 30.1 34.0 7.2 12.9 44.0 43.7 73.3 95.8 20.1 27.4 29.9 97.3 38.2 31.5 12.3 24.0 44.7 29.1 44.8 99.3 65.8 100.0 22.7 17.1 13.9 13.6 14.6 21.9 19.8 25.9 11.3

113

Dibenzothiazyl disulphide

MIZ

41 43 57 58 69 71 82 97 108 122

Ion Intensity (%)

11.7 100.0 22.1 30.7 20.2 11.0 9.2

11.0 18.4 11.0

MIZ

135 136 150 165 166 167 181 300 332

Ion Intensity (%)

46.0 21.5 20.9 36.8 11.7 30.7 9.2

10.4 3 .O




114

2 0 - -

2-Mercaptobenzothiazole

69.

63 1q9

4 5 I 8 1 91 7 6 lo& l?3

loo 1 I

3,9 I 50 58 I t

70 103 122 135 140 ' r-

I 7 6 84


45 63 64 69 83 91 96 108

9.1 14.2 11.7 21.5 11.1 9.8

11.3 13.4

109 123 135 140 167 168 169

Ion Intensity (%)

15.8 11.4 4.4 5.6

100.0 9.8 8.5

Spectrometer : Finnigan Mat S S Q 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 40-500

115

f

116

2,6-Di-tert-butyl-p-cresol

OH

CAS No. - 00128-37-0 PM Ref. No. - 46640 Restrictions - SML = 3.0 mglkg Formula - C,,H*,O Molecular weight - 220

Alternative names - Butylated hydroxytoluene (BHT)

Phvsical Characteristics - White crystalline solid, mp 69-70°C, bp 265°C. - Soluble in most organic solvents.

Handling Safetv Availability



- Standard sample supplied. - H ~ ~ n f u l .



117

IS====-

\

0 0 0

Ln

0

0 0 0

m m

0 0 0

r. m

0 0 0

a 0 0 - P r. Ln

a s u e ~ q r w s u e ~ i %

- ? 'E $ 0

0 0

0

2 c

0 0

0 T m -

0 0

0 ID Ln N

0 0

0

N m m

0 0

0 0 0

0 - r 0 0

0 N

118

CAS NO. 00128-37-0

2,6-DI-TERT-BUTY L-pCRESOL( BHT)

Peak waven u m be 418.6 468.8 580.6 61 9.2 769.7 812.1 866.1 887.4 1026.3 1 120.7 1151.6 1199.9 1213.4 1230.7 1306.0 1361.9 1396.6 1433.3 2733.5 2872.4 2916.7 2955.3 3067.2 3626.6

% T 77.3 82.2 78.1 91.1 49.3 85.1 44.2 78.9 79.9 55.8 35.8 54.6 45.9 42.9 73.9 55.8 58.6 33.06 90.31 36.65 32.64 23.96 81.31 43.99

PM Ref. No. 46640

qelative intensity 29.9 23.4 28.8 11.7 66.6 19.7 73.4 27.8 26.5 58.1 84.4 59.5 71.2 75.0 34.4 58.2 54.5 88.0 12.7 83.3 88.6 100.0 24.6 73.7

119

205 100 -

80 -

60 -

40 -

20 - 5 1 145

- 4 1 ' 1 7 7

r r I I I I , I I I

50 1 0 0 1 5 0 2 0 0

2,6-Di-tert-butyl-p-cresol

2 2 0 1

LO 6

I ' 1 I 1 1

MIZ Ion Intensity ( %) MIZ Ion Intensity (%)

41 57 77 91 105 115 133 145

8.4 10.7 4.5 7.0 6.6 6.3 5.2 9.8

161 4.1 177 7.5 189 4.0 205 100.0 206 13.2 220 27.3 22 1 4.0


0 46640 CAS no U 00 128-37-0

Name 2,6-DI-TERT-BUTYL-p-CRESOL (BHT) Solvent CD

16: SW 23t NS 32

121

3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt

I t e r t . Butyl,

t e r t . Buty i

2 + Ca

2

CAS No. - 65140-91-2 PM Ref. No. - 46880 Restrictions - SML = 6.0 mg/kg Formula - C,,H,,O,P,Ca Molecular weight - 694

Alternative names

Phvsical Characteristics - White crystalline powder, mp > 260°C. - Soluble in most organic solvents.





- Antioxidant. - Polyolefins, rubber, paper.

GC Retention time

122

I

- 9 'E = : o v

0 0

0 N

7 c

0 0

0 -r

z

0 0

0 a Ln N

0 0

0

N m m

0 0

0 0 0

0 - 4 - 0 0

0

123

CAS NO. 65140-91-2 PM Ref. No. 46880

3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONlC ACID, MONOETHYL, Ca SALT

Peak wave n u m be 414.8 436.0 476.5 518.9 574.9 617.3 638.5 733.0 767.8 779.3 800.6 848.8 881.6 891.2 958.7 1045.6 1101.5 1 130.4 1 159.4 1 170.9 1213.4 1232.7 1273.2 1313.7 1361.9 1390.9 1435.2 2874.3 2910.9 2959.2 3644.0

% T 91.6 80.1 78.3 37.8 78.0 92.2 64.9 90.8 81.6 69.2 54.9 70.0 71.1 77.1 48.0 6.9 67.8 47.20 17.83 13.73 51.92 50.00 79.23 75.52 72.15 75.1 1 35.93 65.30 54.12 31.17 54.20

qelative intensity 9.0

21.4 23.3 66.8 23.6 8.4 37.7 9.9 19.8 33.1 48.5 32.2 31 .O 24.6 55.9 100.0 34.6 56.7 88.3 92.7 51.7 53.7 22.3 26.3 29.9 26.7 68.8 37.3 49.3 73.9 49.2

124

30 -

3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt

90 - "

2,l9 1 I i l

-., , , , , : , , , , , 500

- 1 7

600


40 41 43 45 55 56 57 73 147 161


21.3 65.3 18.7 33.3 25.3 34.0 24.7 10.0 25.3 12.7

: VG Autospec : Probe inlet

: 70 eV : 350-400°C

: 40-1000

203 219 229 257 285 3 14 34 1 342 356 357

33.3 54.7 20.7 34.7 34.7 15.3

100.0 21.3 82.0 30.7

3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC

16384

65 140-91-2 ACID, ETHYLESTER, Ca SALT

8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5

( P P d

i

126

0 OH


- 00131-56-6 - 48640 - SML = 6.0 mg/kg

- 214 - C,3H,oO3

Alternative names - Benzoresorcinol

Physical Characteristics - White powder, mp 144.5 - - Soluble in alcohol, benzene, ether,

glacial acetic acid.



GC Retention time



- UV-stabilizer - Polyolefins.

- 39.5 min.

127

- 9 'E -T

0 0

0

N -

0

0 9

2 *

0

0 a Ln N

9

0

0

N m

9 m

0 0

3

2

3

B z

128

CAS NO. 00131-56-6

2,4-DIHYDROXYBENZOPHENONE

Peak wavenumber 412.8 428.3 464.9 517.0 532.4 590.3 628.9 700.3 731.1 742.7 752.3 783.2 814.1 850.7 862.3 914.4 937.5 949.1 980.0 1034.0 1078.3 11 22.7 1167.1 1178.7 1221.1 1280.9 1321.4 1360.0 1446.8 1491.2 1562.5 1599.2 1630.1 1894.3 1965.7 2536.7 2594.6 2720.0 2764.3 2837.6 2883.9 2920.6 2965.0 3024.8 3063.3 3119.3 3152.1 3970.0

oh T ._ . 65.8 55.8 65.8 61 .l 72.5 55.9 20.3 15.5 54.6 45.5 41 .O 26.2 75.7 41.6 40.4 45.2 75.3 81.3 47.0 72.0 62.3 13.9 15.7 16.6 12.7 3.1 4.1 15.6 16.7 9.3 14.3 13.5 5.4 85.9 83.4 88.4 84.5 79.2 80.7 70.5 63.0 58.3 53.0 43.7 34.5 26.0 19.9 89.6

PM Ref. No. 48640

Relative intensity 35.3 45.6 35.3 40.2 28.3 45.5 82.2 87.2 46.9 56.3 60.9 76.1 25.1 60.3 61.5 56.6 25.5 19.3 54.7 28.9 38.9 88.8 87.0 86.0 90.1 100.0 98.9 87.1 86.0 93.6 88.4 89.2 97.7 14.6 17.1 11.9 16.0 21.5 19.9 30.4 38.2 43.1 48.5 58.1 67.6 76.4 82.7 10.8

129

2,4-Dihydroxybenzophenone

2 1

1

MI2 Ion Intensity (%)

51 16.7 53 9.4 69 8.4 77 32.2 81 10.5 105 15.7

M/Z Ion Intensity ( W )

137 91.9 138 6.2 213 100.0 214 78.9 215 10.5



Scan Range 40-500

131


Alternative names



GC Retention time

4,4'-Dihy droxybenzophenone

0 II


- 00611-99-4 - 48720 - SML = 6.0 mg/kg - C,,H,OO, - 214

- Methanone, bis(4-hydroxyphenyl)

- Yellow powder, mp 213 - 215"C, bp 350°C. - Soluble in most organic solvents.

- Store at room temperature. - Irritant. - Standard sample.was supplied.

- UV-stabilizer. - General use.

- 43.7 min.

132

- 9 'a s : o 0

0 0

0 N

c c

0

0 T

9

cn c

0

0 rc1 Ln N

9

0 0

0

N m m

0 9 0 0 0

0 - 0

0

0 0 0

F 0 N

0 0

N T

0 0 0 0 0

ln

8 8 0

m ID

T m 0

a3uej jywsueJl x

2 Y V

CAS NO. 00611-99-4

4,4-DIHYDROXYBENZOP. iENOF

Peak wavenumber 41 8.6 513.1 582.6 634.7 671.3 686.7 731.1 771.6 814.1 854.6 929.8 970.3 1010.8 1115.0 1151.6 1 165.2 1178.7 1244.2 1269.3 1286.7 1317.5 1388.9 1446.8 1508.5 1574.1 1595.3 1628.1 1929.1 2442.2 2573.4 2667.9 2789.4 2885.9 2930.2 3024.8 31 63.6 3339.2

% T 71.4 58.7 31.9 67.5 70.1 57.7 72.9 43.9 78.5 40.9 48.4 67.1 82.7 47.0 21 .o 14.4 57.0 8.1 19.7 21.6 15.8 60.3 26.9 43.5 15.6 11.9 29.2 89.4 82.4 78.7 75.1 70.2 66.1 59.9 49.2 31 .O 24.9

133

PM Ref. No. 48720

E

Relative intensity 31.2 44.9 74.0 35.3 32.5 46.1 29.4 61.1 23.3 64.3 56.1 35.8 18.8 57.6 86.0 93.1 46.7 100.0 87.3 85.3 91.6 43.2 79.6 61.4 91.9 95.9 77.0 11.5 19.2 23.2 27.1 32.4 36.8 43.6 55.3 75.0 81.7

134

i 53 I

9

4,4'-Dihydroxybenzophenone

1

50 100


50 4.6 53 9.5 63 20.3 64 8.8 65 55.3 93 29.8

,: ,, , , , I!;, ,, , , ,i;,, 19; ,

1131 5 1 9 164 I186 '198

1 5 0 200


121 100.0 128 6.7 157 5.2 185 5.2 214 22.3 215 3.1



Scan Range 40-500

135

-

i

136

Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) and

Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate)

CAS No. PM Ref. No. Restrictions

Formula Molecular weight

Alternative names




I 72H5 0 II

C8HI7-Sn S-CH2-C-O-CH2-CH-C4H9 t

GC Retention time

2

- 15571-58-1 and 27107-89-7 - 50320 and 67680 - SML = 0.02 mg/kg for all

di-n-octyltin derivatives. - SML = 1.2 mg/kg for all

mono-n-octyltin derivatives. - C,6H720,S2Sn and C,,H,,O,S,Sn - 750.7 and 840.7

- Viscous colourless liquid, mp C O'C,

- Soluble in toluene, hexane, tetrahydrofuran. bp >250°C.

- Store at room temperature. - Irritant. - Liquid preparation containing

PM Ref. No. 50320 and 67680.

- Stabilizer. - PVC.

- Octyl thioglycolate 25.4 min.

137

- 9 'E 8 0 w

0 0

, o N 7

0 0

o w

m

0 0

0 a ln N

0 o 0

N m co

0 0

I I I I I I I l

t; cz z

138

CAS NO. 15571-58-1 and 27107-89-1 PM Ref. No. 50320 and 67680

DI-N-OCPILTIN BIS(2-ETHYLHEXYLMERCAPTOACETATE) + MONO-N-OCTYLTIN TRIS(2-ETHYLHEXYLMERCAPTOACETATE)

Peak wavenumbei 434.0 464.9

11 30.4 1182.5

1290.5 1400.5

1460.3

1730.4

2855.0

2926.4

2961 .I

% T 86.5

87.6

73.6

70.7

60.8 90.3

74.1

56.0

36.6

44.1

58.3

ielative intensity 21.3

19.6

41.6 46.2

61.8

15.3 40.9

65.8

69.4

100.0

88.2

139

Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate)

Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) and


27 29 41 42 43 55 56 57 69 70

21.4 31.9 62.5 29.3 31.1 53 .O 43.7

100.0 27.4 52.0

Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 25-1000

71 83 84 112 549 637 639 640 64 1 643

73.2 23.5 18.9 23.4 23.8 21 .o 34.9 21.2 28.1 23.5

140

100 -

80 -

-

60 -

Octyl thioglycolate

43

8 3 I

9 f j 82-

7 5 ,

I I

4 0 60

113 r

1 4 5

MIZ Ion Intensity (5%) MIZ Ion Intensity (%)

41 42 43 47 55 56 57 69

41.8 10.6 68.8 23.3 28.4 10.8

100.0 9.2

70 22.2 71 64.2 83 8.7 84 3.7 92 5.3 112 15.7 113 9.0


142



Di-n-octyltin bis(isoocty1 mercaptoacetate) and

Mono-n-octyltin tris(isoocty1 mercaptoacetate)

0 II

0 C8H17 I1 I

I C8H17-0-C-CHZ-S-Sn-S-CH~-C-O-C~H17

C8H17

0

3

Alternative names




GC Retention time

- 26401-97-8 and 26401-86-5 - 50480 and 67760 - SML = 0.02 mg/kg for all

di-n-octyltin derivatives. - SML = 1.2 mg/kg for all

mono-n-octyltin derivatives. - C,,H,,O,S,Sn and C,,H,,0,S3Sn - 750.7 and 840.7

- Viscous colourless liquid, mp <O"C,

- Soluble in toluene, hexane, tetrahydrofuran. bp > 250°C.

- Store at room temperature. - Irritant. - Liquid preparation containing

Pm Ref. No. 50480 and 67760.


- Isomers of octyl thioglycolate cluster 24.6 - 26.4 min.

cm-'

Name : DI- N-OCTYLTIN BIS( ISOOCTYLMERCAFTOACETATE) + MONO-N-OCTYLTIN TRIS( ISOOCTYLMERCAFTOACETATE)

PMNr :=o+ CAS Nr :26401-97-8 / 26401-86-5 KBr pellet 67760

c P w

144

CAS NO. 26401-97-8 and 26401-86-5 PM Ref. No. 50480 and 67760

DI-N-OCTYLTIN BIS(ISOOCTYLMERCAPT0ACETATE) + MONO-N-OCTYLTIN TRIS( ISOOCTYLMERCAPTOACETATE)

Peak wavenum bei 443.7

455.3

470.7 484.2

679.0

991.5

1070.6

1122.7

1047.8

1 184.4

1292.5

4367.7

1381.2

1466.1 1541.3

1578.0 1709.1

1437.2

2855.0

2928.3 2959.2

3856.2

3454.9

% T 92.0

89.1 91.7

91.3 89.5

83.1

90.1

65.6

59.3

61.4

55.6

87.5

80.4

64.7 87.5

88.4

58.4

53.6

45.8

22.9 28.3

90.7

90.7


14.1 10.8 11.3

13.6

21.9

12.8

44.6

52.8

50.1

57.6

16.2 25.4

45.8 16.2

15.0

54.0

60.2

70.3

100.0

93.0

12.1

12.1

145

100- 71

43

Di-n-octyltin bis(isoocty1 mercaptoacetate) and

Mono-n-octyltin tris(isoocty1 mercaptoacetate)

639 637 y M 1

M /Z Ion Intensity (X)

41 42 43 47 55 56 57 58 69 70

27.5 9.3

69.0 12.0 35.8 20.4 54.5 22.7 41.4 23.6

MIZ

71 83 84 85 92 97 112 113 149 639

Ion Intensity (%)

100.0 23.0 26.8 11.8 9.1

12.5 23.6 22.1 13.9 10.3


146

Isomers of octyl thioglycolate


41 42 43 47 55 56 57 69

51.3 10.9 60.8 30.3 57.7 33.3

100.0 36.6

70 10.2 71 71.1 75 12.9 83 14.3 84 31.7 112 15.7 113 10.9



Scan Range 40-700

26401-97-8 DI-n-OCTYLTIN BIS(ISOOCTYLMERCAPT0ACETATE) Solvent CDCL, MONO-n-OCTYLTIN TRIS(ISOOCTYLMERCAPT0ACETATE)

16384

, , , , I r n

8.5 8.0 7.5 7.0- 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0

( p p m )

148


Alternative names

N,N’-Diphenylthiourea

- 00102-08-9 - 51680 - SML = 3.0 mglkg - C,,HlZNZS - 228

- Thiocarbanilide

Physical Characteristics - White crystalline powder, mp 152 - 155°C. - Soluble in alcohol, ether, chloroform.



- Store at room temperature. - Toxic. - Standard sample was supplied.

- Vulcanizing, stabilizer. - PVC, PVDC, rubber.

GC Retention time - Degradation products 11.8, 19.1, 33.3 min.

149

0 0 0

N 01

0 0 0

m Ln

0 0 0

u3 u3

0 0 0

0 b

a m q q r e s u e d l x

0 0

u3 m c c

0

N Ln

9

m c

0 0

u3 Ln N

m

0

0 0 0

0 - 0 0

0 - 9

..

150

CAS NO. 00102-08-9

N , N ' D I P H E NY LTH I0 U R E A

Peak wavenumber 418,6 486,l 61 1,5 630,8 644,3 698,3 758,l 933,7 1003, I 1024,3 1070,6 1 136,2 1172,9 1223,O 1244,2 1294,4 131 5,6 1344,6 1495,O 1529,7 1551,O 15913 1599,2 2905,2 3013,2 3036,3 31 25,l 3206,l

O h T 71,9 75,l 79,7 53,7 6 1 3 20,8 53,9 76,3 78,8 74,O 73,l 83,5 76,O 65,5 60,4 50,4 53,4 38,8 62,l 48,6 43,6 70,5 62,7 86,5 59,l 57,l 67,8 40,8

PM Ref. No. 51680

Relative intensity 35.5 31,4 25,6 58,5 48,6 100,o 58,2 29,9 26,8 32,8 34,O 20,8 30,3 43,6 50,O 62,6 58,9 77,3 47,9 64,9 71,2 37,3 47,l 17,l 51,7 54,2 40,7 74,8

151

N, N’-Diphenylthiourea

I5

30

15

10

15

10

65

60

55

50

I S

4 0

77

l.lE6

8.5ES

5 . 7 1 5

2.815

O.OEO

M/Z

50 51 58 63 64 65 66 67 76 77

Ion Intensity (%)

12.3 33.1 9.2 7.4 8.0 16

20.9 6.1 8.6

73.6

M/Z

78 91 92 93 94 135 136 194 195 228

Ion Intensity (%)

6.1 17.8 10.4

100.0 7.4

63.8 10.4 82.2 15.3 19.0




152

Degradation product


41 3.8 45 3.1 46 7.2 51 3.4 63 3.6 65 14.8



Scan Range : 40-500

66 27.2 92 11.2 93 100.0 94 7.0 95 0.4

153

Degradation product

7

51,

1 67

35

ji


50 8.0 51 21.1 67 7.7 74 3.2 75 3.2 76 3.7 77 59.9

78 3.6 91 3.7 103 1.5 135 100.0 136 9.3 137 4.4



Scan Range : 40-500

154

8 9%

100

80

60

40

2 0

97 1 92_ ' lo> 148 129 135 154 1$6 179

I I , , , , , , , I f I I, I

MIZ Ion Intensity (%) MIZ Ion Intensity ( %)

Degradation product

-r

91 I

51 17.7 63 4.6 64 5.7 76 5.1 77 36.5 91 23.1

97 6.0 118 3.7 193 6.3 194 100.0 195 15.0 196 0.6

Spectrometer Inletsystem : Capillary G U M S Source Temperature : 180°C Electron Energy : 70 eV


Scan Range : 40-500

155

1 y a

!

156


Alternative names




GC Retention time

Dodecylbenzenesulphonic acid

- 27176-87-0 - 52000 - SML = 30 mglkg - C,,H,,O,S - 326

- Laurylbenzenesulfonic acid

- Viscous brownish liquid, mp 10°C, bp 315°C. - Soluble in water, alcohol, ether.

- Store at room temperature. - Hygroscopic. - Standard sample was supplied.

- Antistatic agent, emulsifier. - General use.

- Current use as Dodecylbenzene sulphonic acid, Na-salt.

157

s

I J

- X B 0 -t

0

0 9

2 -

0 0

0 cr z

0

0 \D

9

%

0 0

0

N m m

0 0

0 0 0

0 - 0 0

0 0 0 8 8 0

0 0 0 0

0 0 0

.. z 3

G Y

158

CAS NO. 27176-87-0 PM Ref. No. 52000

DODECYLBENZENE SULPHONIC ACID

Peak wavenumber 420,5 584,5 1008,9 1037,8 1 130,4 1172,9

2926,4 2957,2 32 13,8 3250,5 3372,O

Yo T 81,8 84,9 72,3 73,5 63,8 61,9 53,5 71,2 89,3 86,2 73,O

Relative intensity 39,l 32,5 59,6 57,O 77,9 82,O 100,o 61,9 23,O 29,7 58,l

10

27 176-87-0 DODECYLBENZENE SULPHONIC ACID

163 84 SW 4000

160

Erucamide

0


Alternative names




GC Retention time

- 00112-84-5 - 52720 - None

- Cis- 13-docosenoamide

- White flakes or beads, mp 75 - 80°C,

- Soluble in isopropanol, slightly in alcohol, bp decomposes.

acetone.



- Slip and anti-blocking agent. - PVC, polyolefins.

- 50.4 min.

161

0 0 0

In 0 c

0

8 w W

0 0 0

m L n

0 0 0

N *

- 0 g *g w

0 0

0 N

c 7

0 0

0 -? m c

0 0

0 u3 ln N

0 0

0

N m rn

0 0

0 0 0

0 - 0 0

0

162

CAS NO. 00112-84-5

ERUCAMIDE

Peak wavenumbe 412.8 451.4 522.8 545.9 648.2 721.5 804.4 81 6.0 11 18.9 1205.7 1215.3 1246.2 1273.2 1302.1 1325.3 1344.6 141 9.8 1469.9 1645.5 2849.2 2918.7 301 1.3 3186.8 3312.2 3393.2

O/o T 85.0 93.3 92.6 88.3 45.1 62.8 78.1 73.7 68.8 86.3 79.7 77.5 86.6 76.9 84.6 89.4 38.5 32.1 1 12.38 10.09 6.89 58.54 40.44 69.92 24.47

PM Ref. No. 52720

Relative intensity 16.1 7.2 7.9 12.5 59.0 39.9 23.5 28.2 33.5 14.7 21.8 24.2 14.4 24.8 16.6 11.3 66.1 72.9 94.1 96.6 100.0 44.5 64.0 32.3 81.1

163

Erucamide

1 0 0

60

40

20

7 2 I

9 1

2 9 4 320

5 0 100 150 200 2 5 0 300


41 42 43 44 55 56 57 59 60 67

49.8 10.3 42.5 29.2 59.6 12.0 20.0

100.0 10.4 14.1



Scan Range : 40-500

69 72 81 83 86 114 126 320 337 338

24.7 51.9 11.0 13.0 7.3 6.2 7.5 1.3 3.7 0.9

165

C2H5 C2H50

NH-C-C-NH


Alternative names




GC Retention time

- 23949-66-8 - 53200 - SML = 30 mg/kg - C,,H,ON*O, - 312

- 2-ethoxy-2’-ethyl-oxalic acid-bis anilide

- White to slightly yellow powder, mp 124 -127”C, bp > 400°C.

- Soluble in acetone, chloroform, dichloromethane.



- UV-stabilizer. - PVC, PMMA, PE.

- 48.1 min.

166

0

n a

.I

.. i

CAS NO. 23949-66-8

2- ETHOX'

Peak wavenumber 414,8 430,2 459,l 480,3 507,3 524,7 540,l 572,9 702,2 721,5 754,3 785,l 816,O 881,6 929,8 1049,4 1105,4 1122,7 1167,l 1 184,4 1217,2 1259,7 1288,6 1325,3 1369,6 1392,8 1454,5 1471,9 1493,l 151 6,2 1587,6 1601,l 1668,6 2870,4 2932,2 2965,O 3065,3 3281,3

167

PM Ref. No. 53200

2'-ETHY LOXANl Ll DE

O/o T 87,l 87,6 68,O 76,l 85,2 848 61,3 82,7 38,6 34,6 23,l 82,7 64,O 73,8 66,l 42,5 70,l 38,4 73,4 88,l 54,O 21,5 43,2 55,5 69,8 41,5 10,8 24,4 24,6 10,4 42,6 40,2 92 67,9 66,4 54,2 88,l 24,2

Re1 at ive intensity 14,2 13,7 35,2 26,3 16,3 16,7 42,6 19,o 67,6 72,O 84,7 19,o 39,6 28,8 37,3 63,3 32,9 67,8 29,3 13,l 50,6 86,4 62,5 49,O 33,3 64,4 98,2 83,2 83,O 98,6 63,2 65,8 100,o 35,3 37,O 50,4 13,l 83,5

168

2-Ethoxy-2' -ethyloxanilide

1 0 0

80

60

40

2 0

1

I

5 0 1 0 0

148

3 12-

I ;Ii ,16$$5;, "1, , , , , , , 2 3 7 , , , 2_49 , , 1(, 267 , , , , 2 8 3 , , , ,

150 z o o 2 5 0 360

MIZ Ion Intensity (%) M/Z

29 65 77 79 80 106 108 109

12.8 9.5

13.0 10.9 18.6 15.7 26.3 17.4

120 121 136 137 138 148 3 12 313

Ion Intensity (%)

14.2 12.0 26.6

100.0 10.5 14.0 32.1 5.5



Scan Range : 25-450

170

Ethylbenzene


Alternative names




GC Retention time

- 00100-41-4 - 53255 - SML = 0.6 mglkg - C*H,o - 106

- Ethylbenzol

- Colourless liquid, mp -95"C, bp 136°C. - Soluble in most organic solvents.


- Standard sample was supplied. - Harmful.

- Solvent. - PS.

- 8.3 min.

171

0 q.

8

N 0

7

0 0

0 d

5

0 0

0 L n ul N

0 0

0

N m m

0 0

t

.-l

0 0 . . 2

3

172

CAS NO. 00100-41-4

ETHY LBENZENE

Peak wavenumber

412,8

428,3

455,3

468,8

486,l

555,6

696,4

746,5

771,6

1062,9

1375,4

1454,5

1496,9

1605,O

2874,3

2934,l

2966,9

3028,6

3065,3

Yo T

89,6

76,4

91,4

88,2

78,8

77,8

28,8

55,3

74,7

91,9

91,2

49,8

53,l

79,3

65,6

52,8

32,3

53,l

70,7

PM Ref. No. 53255

Relative intensity

14,6

33,2

12,l

16,6

29,8

31,2

100,o

62,8

35,5

11,4

12,4

70,5

65,9

29,l

48,3

66,3

95,l

65,9

41,2

173

Ethylbenzene


50 51 52 63 65 74 77 78 79

3.1 9.9 3.1 2.9 6.8 1.1 7.9 6.2 3.3



Scan Range : 40-500

89 91 92 103 104 105 106 107

2.0 100.0

6.8 3.0 0.9 5.0

35.1 2.4

175


Alternative names

N,N’-Ethylenebisstearamide




2

- 00110-30-5 - 53520 - None - C,*H,,NZOZ - 592

- Bisstearoylethylenediamine

- Slightly yellow powder, mp 144 - 146°C. - Not soluble.



- Antistatic agent, lubricant, release agent. - General use.

GC Retention time

176

0 0 0

u l 0 7

5- 3

J I I I I I I I I

0 0 0

v m

- 9 ‘g 0 z

0 0

0 N

c -

0 0

0

m 9- .--

0

0 L n Ln N

9

0

0

N D

9 m

3 3

3 3 0

0 - 0 0

0

z

c

CAS NO. 00110-30-5

N,N'-ETHYLENEBISSTEARAMIDE

177

PM Ref. No. 53520

Peak wavenumbei 436.0

584.5 526.9 679.0

702.2 717.6 1225.0

1250.0 131 5.6

1331 .O 1381.2

1425.6 1471.9

1456.7 1639.7 2849.2 2916.7 2957.2 3074.9 3209.9 3300.6

% T 90.7

82.5 87.9

75.3 79.4

64.8

80.1

72.1 86.2

84.5

74.9

61.5 36.4

25.1 13.4 10.9 4.9 36.7 75.6 82.7 17.0

Relative intensity 9.8

18.4 12.7 26.0

21.7 37.0 20.9

29.3

14.5

16.3

26.4

40.5 66.9

78.8 91 .I 93.7 100.0 66.6 25.7 18.2 87.3

178

N, N’-Ethylenebisstearamide

%.a.

so

80

70

60

60

40

30

20

10

0- T

0

309 I 28; , 368

i [ 340 ; 608

100 200 300 400 500


43 44 55 57 73 85 86 144 28 1 282

30.0 32.7 9.3

16.7 12.0 13.3 12.7 11.3 14.0 10.0

600 800 900 M i ,

MIZ

309 310 340 368 536 537 564 565 592 593




Ion Intensity (%)

18.0 12.7 10.0 13.3 45.3 16.0

100.0 34.7 56.7 22.0

(g-) (7) 001 10-30-5

i

y ;j 16384

-

I

7.0 6.5 6.0 5 . 5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1 . 0 0.5 (

(PPm)

180

Ethyleneglycol bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)


Alternative names




PH I

ter t . Butyl 4 1 I I OH I

- 32509-66-3 - 53670 - SML = 6.0 mglkg

- 794 - C,,H45O*

- Slightly yellow crystalline powder, mp 169°C. - Soluble in acetone, methanol, chloroform.



- Antioxidant. - PP, PE

GC Retention time

181

0 0 0

o\ m

0 0 0

0 0 0

0 0 0

d 7

- ?'a p

0 0

0

N 7

0 0

0 d

z

0 0

0 \D ln N

0 0

0 m N m

0 0

0 0 0

0 - 0 0

m N

182

CAS NO. 32509-66-3 PM Ref. No. 53670

ETHYLENE GLYCOL BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL) BUTYRATE)

Peak wavenumbe 410.9 499.6 563.3 650.1 817.9 891.2 983.8 1022.4 1086.1

1 153.6 1203.7 1259.7 1292.5 1336.8 1365.8 1408.2 1462.2 1485.4 1508.5 1720.7 2868.5 2912.9 2959.2 3198.4 3451.1

% T 86.3 86.8 91.9 79.3 48.5 84.4 88.0 88.0 36.9 38.9 32.0 39.8 56.9 54.7 45.6 38.2 63.4 62.51 40.29 39.99 58.21 51.12 31.32 85.84

48.25

3elative intensity 19.9 19.2 11.8 30.2 74.9 22.7 17.5 17.4 91.9 89.0 99.0 87.7 62.8 66.0 79.2 90.0 53.4 54.6 86.9 87.4 60.8 71.2 100.0 20.6

75.3

183

Ethyleneglycol bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)

35.

30.

115.

on.

15.

10.

65

KO.

5 5

50

MJZ

41 43 55 57 69 70 73 77

Ion Intensity (%)

44.3 88.5 33.6 47.7 16.4 12.4 23.2 17.2

MJZ

91 107 119 121 135 325 326

Ion Intensity (%)

15.3 15.0 42.6 13.9 18.1

100.0 24.0




ETHYLENEGLYCOL BIS (3,3-BIS (3-TERT-BUTYL-4- HMROXYPHENYL) BUTYRATE)

I

16384 SW 3125 NS

185

2-Ethslhexanoic acid

0

CAS No. - 00149-57-5 PM Ref. No. - 54120 Restrictions - None Formula - C,H,,O, Molecular weight - 144

Alternative names - 2-Ethylcaproic acid

Physical Characteristics - Coulourless liquid, mp -59"C, bp 228°C. - Soluble in water, alcohol, ether.







- Note - Current use as calcium- or zinc salt.

186

7

I c

0 0 0

m z

0 0 0

w m

0 0 0

\D m

0 0 0

D 0 0

Fl m

- 0 0 8 0 T

0 0

0

N c

0 0

0 w

m

0 0

0 \D m N

0

0

N m

9 m

0 9

.. _ .

CAS NO. 00149-57-5

2-ETHYLHEXANOIC ACID

Peak wavenum be 414.8 439.8 945.2 1205.7 1228.8 1273.2 1383.1 141 5.9 1462.2 1709.1 2638.9 2862.7 2876.3 2936.0 2965.0

% T 87.5 87.5 82.3 82.3 68.9 74.3 85.2 78.7 66.6 20.5 88.1 57.3 55.4 39.9 37.5

187

PM Ref. No. 54120

Relative intensity 15.7 15.7 22.3 22.3 39.1 32.4 18.6 26.8 42.0 100.0 15.0 53.7 56.1 75.6 78.6

188

M/Z

27 29 39 41 42 43 55 57


2-Ethylhexanoic acid

57

60

8

83 I +

80

Ion Intensity (%)

10.6 9.9

10.5 27.9 4.7

15.0 18.2 26.2

101 116 I I

I;, , 9;; lj;02 ,;]I,, , ~ , ;fP, , , , , I , , , , , i r

100 120 140


M/Z

73 87 88 89 101 115 116 129

Ion Intensity (%)

87.3 20.2

100.0 4.4

14.5 8.7

15.2 0.5


190

Gallic acid, propyl ester


Alternative names




GC Retention time

OH

- 00121-79-9 - 55360 - SML = 30 mg/kg as gallic acid

- 212 - ClOHl*O,

- Benzoic acid, 3,4,5-trihydroxy-, propyl ester

- White crystalline powder, mp 150°C. - Soluble in alcohol, ether, water.


- Standard sample was supplied. - Hannful.

- Antioxidant. - Polyolefins.

- 38.3 min.

191

m

0 0 0

In 52

0 0 0

w m

0 0 0

N

0 0 0

N - 0 0 0

0 7 m

J3UEJ$IUSUPJl

- : '3 0 d

8 0 N 7 -

0 0

0 .t

?

0 0

0 \D ln N

8

w 0

m

8 0 0 0

0 - 0 0

0

c3 w

192

CAS NO. 00121-79-9 PM Ref. No. 55360

GALLIC ACID, PROPYL ESTER

Peak wavenumber 420,5 459,l 536,3 644,3 731,l 746,5 771,6 868,i 910,5 925,9 978,O 995,4 1035,9 1099,6 1 1 97,9 1244,2 1315,6 1340,7 1385,l 1408,2 1468,O 1541,3 1618,5 1693,7 2685,2 2880,i 2939,9 2968,8 3071,l 3107,7 3323,8 3468,4 3503,2

O/o T 70,3 85,4 59,O 4a,4 58,2 33,7 42,O 53,7 78,4 79,l 41,6 31,3 10,3 56,8 7,O

5,3 18,8 20,9 16,l 26,i 27,l 14,6

9,4 84,7 60,5 58,l 42,5 73,l 70,O 16,l 10,6 14,7

7,o

Relative intensity 31,4 15,4 43,3 54,5 44,l 70,O 61,2 48,9 22,8 22,l 61,7 72,5 94,7 45,6 98,2 98,2 100,o 85,7 83,5 883 78,O 77,O 90,2 95,7 16,2 41,7 44,2 60,7 28,4 31,7 88,6 94,4 90,l

193

Gallic acid, propyl ester

125

MJZ Ion Intensity (X)

41 9.8 43 6.7 51 7.4 58 25.8 79 9.8 125 15.3 126 6.1

5 . 7 1 6

5.516

5.2P6

4.9E6

4 . 6 9 6

1.3E6

4.0E6

3.1E6

3 .416

3.2E6

M/Z

153 154 167 170 184 212 213

Ion Intensity (%)

100.0 11.0 7.4

70.6 6.1

35.0 5.5




194

I

195


0 CH2-O-C~CH>CH=CHfCH2>CH3 li I 7 7

CH-OH

CH2-OH I

Alternative names




Glycerol monooleate

- 25496-72-4 - 56960 - None - ~*lH,O, - 356

- Glycerol, l-mono(9-octadecenoate)

- Yellow liquid, mp 25"C, bp 238 - 240°C. - Soluble in hexane, benzene, alcohol, ether.


- Standard sample supplied.


GC Retention time

196

0 0 0

Ln

0

0 0 0

a m

- 9 'a 8 u q.

0 0

0 N - c

0 0

D q.

2

0 0

0 a L n

N

0 0

0

N (1

m

0 0

0 0 0

0 - 0 0

0 v

E v1 c U

CAS NO. 25496-72-4

GLYCEROL MONOOLEATE

Peak wavenumbei 441.8 723.4 1053.3 1118.9 1174.8 1246.2 1379.3 141 9.8 1466.1 1741.9 2855.0 2926.4 3007.4 3192.6 3289.0 3372.0

% T 87.9 90.0 85.9

68.0 80.9 81.4 86.3 69.9 44.6 35.8 18.1 80.6 89.3 77.8 70.2

84.6

197

PM Ref. No. 56960

3elative intensity 14.7 12.2 17.2 18.8 39.1 23.3 22.7 16.7 36.7 67.7 78.4 100.0 23.7 13.0 27.1 36.4

198

9

9

8

8

7

7

6

6

5

5

4

4

3

3

2

2

1

1

40 -

Glycerol monooleate

PMS 69 60 €6.4E5

69

-

129 I


43 55 56 57 69 71 81 83 96 97


56.4 100.0 25.6 60.4 61.6 23.5 47.8 40.4 28.0 39.8

6.1E5

5.7E.5

5.4E.5

5.1E.5

4. BE5

4.5E5

4.2E5

3.8E5

3.5E5

3.2E.5

2.9E5

2.6E5

2.2E5

1.9E5

1.6E5

1,365

9.6E4

6.4E4


98 109 111 112 129 137 213 264 264 339


56.5 18.0 20.2 21 .o 34.9 15.0 10.7 29.4 18.2 16.7

200

Glycerol monostearate


Alternative names



Current uses Apulications

GC Retention time

- Note

CH-OH I

- 31566-31-1 - 57520 - None - C,,H4,04 - 358

- Glycerol, l-monooctadecanoate

- White micro beads, mp approx. 69°C. - Soluble in alcohol, hexane, ether.

- Store at room temperature. - Low toxicity. - Standard sample supplied.


- 46.5 and 49.6 min.

- Also known as PM Ref. No. 18115.

20 1

m

0 0 0

ln z

0 0 0

d m

0 0 0

Ln m

0 0 0

N c

0 0 0

0

- 9 'a 0

%- 0 0

0 0

0 N

c F

0

0 v 9

2

0 0

0 Ln ln N

0

0

N m

9 m

0 0

3

d

W

202

CAS NO. 31566-31-1 PM Ref. No. 57520

GLYCEROL MONOSTEARATE

Peak wavenumbei 434.0 582.6 632.7 661.7 721.5 943.3 991.5 1047.5 1062.9 1 105.4 1180.6 1 196.0 1215.3 1236.5 1255.8 1267.4 1275.1 1292.5 1331 .O 1394.7 1417.9 1469.9 1730.4 2851 .I 291 6.7 3246.6

% T 93.4 91.3 84.3 80.2 52.6 67.4 62.5 35.3 46.9 48.6 19.0 31.8 46.9 57.0 53.6 61.6 60.3 61.70 69.71 47.65 51.38 27.25 12.92 6.64 2.67 31.54

Relative intensity 6.8 9.0 16.1 20.3 48.7 33.5 38.6 66.5 54.5 52.8 83.2 70.1 54.5 44.2 47.7 39.5 40.8 39.3 31.1 53.8 50.0 74.7 89.5 95.9 100.0 70.3

203

Glycerol monostearate

:jl 85

112 I"

3.7E5

3.5E5

3.3E5

3,185

2.9ES

2.785

2.5E5

2.335

2.1ES

1.9E5

1. BE5

1.6E5

1.4E5

1.2E5

9.7E4

MJZ

43 44 55 57 69 71 73 74 84 95

Ion Intensity (%)

100.0 11.1 62.0 79.3 29.0 30.8 23.6 35.6 40.4 14.7

MIZ

97 98 99 111 112 116 129 134 239 267

Ion Intensity ( %)

24.7 76.2 12.0 20.4

23.87 17.9 37.2 27.5 15.4 19.7




204

IC

41-

c

c

t

205

Glycerol triacetate


Alternative names




- 00102-76-1 - 57760 - None - C,H,,Ob- - 218

- Triacetin

- Colourless liquid, mp -78"C, bp 258 - 260°C. - Soluble in most organic solvents.



- Lubricant, carrier. - General use.


206

'.:"-;- 0

0 q.

9

Do

0 0

0 L n Ln N

3

CAS NO. 00102-76-1

GLYCEROL TRIACETATE

Peak wavenumbei 416.7 430.2 457.2 605.7 688.7 748.5 844.9 962.6 1018.5 1051.3 1101.5 1221.1 1373.5 1439.1 1477.7 1684.1 1743.9 2843.4 2901.3 3476.2

Yo T 84.6 70.8 75.3 66.8 82.7 87.7 76.4 68.9 43.7 19.1 61.2 1.8

21.1 69.0 85.2 43.3 3.9 81.5 75.2 88.9

207

PM Ref. No. 57760

lelative intensity 15.7 29.8 25.2 33.9 17.7 12.5 24.1 31.7 57.3 82.5 39.6 100.0 80.4 31.6 15.1 57.7 97.9 18.9 25.2 11.3

208

100 -

8 0 -

60 -

40 -

20 -

Glycerol triacetate

I I II 15 6f 7 ? 86 9 8

I I

14?

1+6

y Y8


27 29 42 43 44 56 57 61

1.1 73 1.4 74 2.9 86

100.0 103 3.8 115 0.9 116 1.4 145 1.9 146

Ion Intensity (%)

2.6 2.2 3.5

15.8 4.6 6.7

11.8 0.7



Scan Range : 25-250

209

4

210

1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide)

t e r t . Butyl 0 II

HO+ CH2-CH2-C-NHfCH2f ?

t e r t . Butyl

2

CAS No. - 23128-74-7 PM Ref. No. - 59120 Restrictions - SML = 45 mg/kg Formula - C40H,N*O4 Molecular weight - 637

Alternative names




- N,N'-hexamethylene bis(3,5-di-tert-butyl- 4-hydroxy-hydrocinnamide

- White crystalline powder, mp 156 - 161 "C. - Soluble in acetone, methanol, chloroform.



- Antioxidant. - PA, PVA, PBT, polyesters, polyacetals.

GC Retention time

21 1

3 .. 0 0 n

m m

0

8 m b

c)

8 r. m

212

CAS NO. 23128-74-7 PM Ref. No. 59120

1,6-H EXAMETHY LEN E 81 S( 3-( 3,5-DI-tert-BUTY L-4- HY D ROXY PH E NY L) P ROP ION AM I D E)

Peak wavenumber 410,9 468,8 493,8 569,l 603,8 621,2 661,7 704,l 769,7 806,3 875,8 889,3 1026,3 1120,8 1 1553 1180,6 1215,3 1234,6 1259,7 1290,5 1302,l 1321,4 1358,l 1390,9 1435,2 1454,5 1564,5 1620,4 1632,O 1657,l 2860,8 2932,2 2957,2 3096,l 3283,2 3570,7

Yo T 85,2 91,3 72,2 89,9 87,8 88,7 87,3 83,3 78,l 87,3 78,l 83,3 89,3 52,2 69,2 66,8 49,6 44,2 63,l 754 72,4 75,7 52,4 71,9 37,l 50,5 359 29,O 28,9 47,7 54,8 36,5 34,7 77,4 453 72,l

Relative intensity 20,8 12,2 39,l 14,2 17,2 15,9 17,9 23,5 30,8 17,9 30,8 23,5 150 67,2 43,3 46,7 70,9 78,5 51,9 34,6 38,8 34,2 66,9 393 88,4 69,6 90,l 99,8 100,o 73,5 63,6 89,3 91,8 31,8 76,6 39,2

213

85

no

15

10

65

60

55

50

45

40

35

30

25

20

15

10

5

0

-


41 43 44 55 57 69 83 85 98 100


35.0 100.0 18.4 21.5 39.3 22.1 16.0 14.1 12.9 18.4

109 123 149 203 219 259 321 580 636 637


11.0 14.1 11.7 14.7 14.1 11.0 11.7 19.6 38.0 17.2

!2 P

23 128-14-1 1,6-HEXAMETHYLENE BIS(3-(3,5-DI-TERT-BLJTYL- 4-HYDROXY PHENYL)PROPIONAMIDE)

r

[- 16384

215


t e r t . Butyl

t e r t . Butyl

2

Alternative names




- 35074-77-2 - 59200 - SML = 6.0 mg/kg - ‘40H62’6 - 639

- Benzenepropanoic acid, 3,5-bis( 1, l-di-methyl- ethyl)-4-hydroxy- 1,6-hexanediyl ester

- White crystalline powder, mp 104 - 108°C. - Soluble in benzene, chloroform, ethyl acetate.



- Antioxidant. - Polyacetals.


216

c_

-I--

I "- '

i i

--

I=) 0 n

m m

0 0

i- m

n

n 0

c % x n N

..

217

CAS NO. 35074-77-2 PM Ref. No. 59200

1,6-HEXAMETHYLENE BIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPlONATE)

Peak wavenum ber 414,8 495,8 767 8 802,5 871,9 889,3 981,9 1028,2 1066,8 1122,7 1167,l 1205,7 1234,6 131 3,7 1369,6 1392,8 1437,l 1471,9 1732,3 2868,5 2916,7 2959,2 3464,6 3640,l

Yo T 85,l 89,4 75,9 88,O 68,4 79,4 72,O 81,8 81,3 57,7 23,3 38,l 41,2

48,9 46,9 62,2 33,2 55,O 23,4 49,3 42,7 22,4 80,9 53,6

Relative intensity 19,2 13,7 31,l 155 40,7 26,6 36,l 23,5 24,l 543 98,9 79,8

75,8 65,9 68,4 48,7 86,l 58,O

98,7 65,4 73,9 100,o 24,6 59,8

218

95

90

ns

no

75

10

65

60

55

50

45

10

35

30

25

20

15

10

5

0

-

I

8 3

M/Z

41 43 55 57 83 147 163 189 203 219

145

I


360

470

5

Ion Intensity (%) MIZ Ion Intensity (%)

59.5 71.8 71.8

100.0 39.9 60.1 40.5 33.7 82.2 92.0

259 260 305 322 378 470 526 638 639 640


42.9 33.7 49.7 54.8 54.6 55.2 42.9 62.6 31.1 7.5

35074-77-2 1,6-HEXAMETHYLENE BIS(3-(3,5-DI-TERT- BUTYL-4-HYDROXYPHENYL) PROPIONATE I

r 'F yj 16384

220


Alternative names




GC Retention time

4-Hydroxybenzoic acid, methyl ester

OH I

- 00099-76-3 - 60200 - None - C,H*O, - 152

- Methylparaben

- White needles, mp 131"C,

- Soluble in alcohol, acetone, ether. bp 270 - 280°C decomposes.



- Preservative. - Antioxidant, paper.

- 25.7 min.

22 1

0 0 0

o w 0

0

0 0 0

Ln 0 N

0 0 0

0 ul

0 0 0

Ln b

0 0 0

0 0

0 0 0

Ln N

222

CAS NO. 00099-76-3 PM Ref. No. 60200

4-HYDROXYBENZOIC ACID METHYL ESTER

Peak wavenumbe 420.5 497.7 509.3 61 7.3 638.5 671.3 698.3 771.6 850.7 956.8 1008.9 1 107.3 1 1 18.9 1 163.2 1194.1 1234.6 1279.0 131 5.6 1379.3 1435.2 1514.3 1589.5 1606.9 1680.2 2459.5 2459.5 2515.5 2681.4 281 0.6 2899.4 2965.0 3034.4 3078.8 31 94.5 3292.9

% T 74.4 74.6 67.7 50.2 58.6 54.4 39.2 26.6 39.3 43.6 74.1 27.6 27.1 9.4 21.6 6.8 1.7 6.1

47.0 14.5 17.5 7.6 8.7 5.0 85.2 85.2 86.1 80.8 78.1 77.0 56.2 63.5 64.5 37.2 15.1

qelative intensity 26.1 25.8 32.8 50.7 42.1 46.4 61.8 74.7 61.8 57.3 26.4 73.6 74.2 92.2 79.8 94.8 100.0 95.5 53.9 87.0 83.9 94.0 92.9 96.7 15.0 15.0 14.2 19.6 22.3 23.4 44.6 37.1 36.2 63.9 86.4

223

65 9? I

6 3

5; 6 2 1 1 67 77 ,.&O 9% 9 5 10,7 125 I

4-Hydroxybenzoic acid, methyl ester

1+3 1 5%


38 39 50 53 62 63 64 65 66

2.2 10.1 1.2 2.2 1.7 4.5 2.3

15.3 1.5

92 93 94 121 122 123 151 152 153

1.6 17.8 1.1

100.0 7.3 1 .o 2.0

41.0 3.16



Scan Range : 25-450

N N P

00099-76-3 4-HYDROXYBENZOIC ACID, METHYL ESTER

16384 SW 3125 NS 32

225

2-(2-Hydroxy-3,5-bis( 1,l-dimethylbenzy1)phenyl) benzotriazole

I I

CH3-C-CH3


Alternative names




GC Retention time

- 70321-86-7 - 60320 - SML = 1.5 mg/kg

- 447 - C,,H*,N,O

- 2-(2H-benzotriazol-2-yl)-4,6-bis( l-methyl- 1 -phenylethyl)phenol

- Slightly yellow powder, mp 137 - 141 "C. - Soluble in benzene, chloroform, dichloro-

methane.



- UV-stabilizer. - PC, polyesters.

- 60.3 min.

226

P \

0

8 N 0,

- o &

0 0 -t

0 0

0 r. 7 -.

0 cj

P rn - - -

0 0

CI a

P

0 0

0

m w

0 0

0 n 0

0 P

ii; 3

). E 2 X

n * r

CAS NO. 70321-86-7

227

PM Ref. No. 60320

2-(2-HYDROXY-3,5-BIS(l,l- DIMETHYLBEN2YL)PHENYL)BENZOTRIAZOLE

Peak wavenumber 410,9 445,6 538,2 580,6 613,4 626,9 652,O 671,3 702,2 750,4 767,8 796,7 852,6 870,O 887,4 976,l 1030,l 1074,5 1 103,4 1126,6 1 145,9 1 186,4 1215,3 1253,9 1304,O 1348,4 1387,O 1402,4 1425,6 1435,2 1495,O 1599,2 2916,7 2965,O 301 9,0 3055,6

% T 85,7 84,2 87,6 82,2 88,5 88,7 86,5 75,6 43,9 51,7 65,5 77,6 88,4 85,8 82,6 89,9 81 ,O 88,2

86,6 82,6 83,7 73,7 75,O 73,3 78,3 82,9 80,4 78,3 60,3 64,8 81,l 80,2 62,5 80,6 78,8

a4,5

Relative intensity 25,5 28,2 22,i 31,7 20,5 20,l 24,l 43,5 100,o 86,l 61,5 39,9 20,7 25,3 31,O 18,O 33,9 21 ,o 27,6 23,9 31 ,O 29,O 46,9 44,6 47,6 38,7 30,5 34,9 38,7 70,7 62,7 33,7 35,3 66,8 34,6 37,8

228

2-(2-Hydroxy-3,5-bis( 1 , l -dimethylbenzyl)phenyl)benzotriazole

MIZ

41 65 77 91 92 103 105 119

432

ll,,!i!,!);i;l,!l,, , , , 1 1 , , , , I , , , , ' I ; ! , , , , , I , 1.2 8 17.8 2p8 252 328 37,O

100 200 300 400

Ion Intensity (%)

14.6 3.3 6.7

49.1 20.3 18.1 5.7

49.3

M/Z

120 342 356 432 433 447 448 449

Ion Intensity (%)

6.4 29.9 17.2

100.0 25.1 90.7 23.5 2.5

Spectrometer Inletsystem : Capillary G U M S Source Temperature : 180°C Electron Energy : 70 eV


Scan Range : 35-500

2-(2-HYDROXY-3,5-BIS( 1,l -DMETHYLBENZYL) PHENYL ) BENZOTRIAZOLE

i 16384

SW 3125 NS

/---

230

CAS No. - 03896-11-5 PM Ref. No. - 60400 Restrictions - SML = 30 mg/kg with other

benzotriazole derivatives Formula - C,,H&lN,O Molecular weight - 315.5

Alternative names - 2-(3’-tert-Butyl-2’-hydroxy-5’-methylphenol)- 5-chlorobenzotriazole

Phvsical Characteristics - Slightly yellow powder, mp 138 - 141°C. - Soluble in benzene, toluene, cyclohexane.







23 1

0 0 0

a m

..

232

CAS NO. 03896-11-5 PM Ref. No. 60400

2-(2-HY DROXY-3-tert-BUTY L-5-METHYLPHENYL)-5- CHLORO -2-BENZOTRIAZOLE

Peak wavenumber 422.5 4473 474,6 540,l 565,2 598,O 640,4 669,4 719,5 754,3 785,l 806,3 846,9 858,4 873,9 935,6 945,2 1008,9 1026,3 1049,4 1 103,4 I 136,2 1215,3 1240,4 1261,6 1292,5 1317,5 1348,4 1392,8 1448,7 1485,4 1504,7 1560,6 1601,l 1620,4 2424,8 2619,7 2702,6 2868,5 2C18,7 2961,l 2993,9

Yo T 57,3 71,9 90,l 91,8 80,5 69,6 83,9 78,O 24,4 61,5 60,9 19,7 36,9 42,8 48,9 50,6 35,9 84,O 72,3 24,7 66,l 59,7 25,5 22,3 46,8 31,9 62,6 43,8 48,8 27,l 39,3 54,5 60,l 65,2 79,8 91 ,o 86,6 84,3 48,5 39,2 26,4 45,3

Relative intensity 53.2 35,O 12,3 10,2 24,3 37,8 20,o 27,4 94,l 47,9 48,7 100,o 78,6 71,2 63,6 613 79,8 19,9 34,5 93,7 42,2 50,2 92,8 96,7 66,2 84,8 46,6 70,O 63,7 90,8 75,6 56,6 49,7 43,3 25,l 11,2 16,7 19,5 64,l 75,7 91,6 68,l

233

91 I

77

41 65 I lq5 ~

: I 9 e 5 ? 1 1 1 I Ill 1 1 1 1

1;9

272

126

274 7

' 147

1 4 5 ' 1,612 175 194 207 I/ I I I 230 I l l ' 1 1 1 1 I I 1 I I I

300

3 15

I


41 53 65 77 91 105 117 119 126

10.1 3.5 6.0

10.6 15.9 7.8 8.3

24.8 11.1

272 274 300 301 302 3 15 316 3 17 318

Ion Intensity (%)

21.7 8.7

100.0 18.9 31.7 54.0 10.6 18.6 2.9



Scan Range : 35-400

235

l-(2-Hydroxyethyl)-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid,


Alternative names




dimethyl ester, copolymer

GC Retention time

- 65447-77-0 - 60800 - SML = 30 mg/kg Specifications to be added. - [C31H54N*091" - 1500- 5000

- Butanedionic acid, polymer with 4-hydroxy- 2,2,6,6-tertamethyl- 1 -piperidheethanol

- Slightly yellow powder, mp 100 - 120°C. - Soluble in benzene, chloroform, toluene,

dichloromethane.

- Store at room temperature. - Harmful. - Standard sample was supplied.

- UV-stabilizer. - EVA, PP, PE.

- Also known as CAS No. 70198-29-7, and PM Ref. No. 81215. and 91150.

236

- x ,g 0 c-

0

0 9

2 7

0

0 q.

9

9

0 0

0 \D ln N

0 0

0

N m m

0 0

Y

237

CAS NO. 65447-77-0 PM Ref. No. 60800

1 - (2-HY D ROXY ETHY L)-4-H Y D ROXY -2,2,6,6- TETRAMETHYLPIPERIDINE-SUCCINIC ACID, DIMETHYL

ESTER, COPOLYMER (M.W.1500-5000)

Peak wavenumber 445,6 474,6 493,8 563,3 665,5 758,l 839,i 877,7 920,2

956,8 981,9 999,3 1028,2 1 1 16,9 1 1 55,5 1257,7 1317,5 1365,8 1385,l 1468,O 1732,3 2945,7 3453,O

Yo T 90,6 92,O 87,7 753 87,8 88,8

74,8 87,l 88,4 65,5 63,9 62,7 70,8 69,9 54,5 57,9 61,9 57,2 58,4 63,6 48,5 48,8 72,8

Relative intensity 18,3 15,5 23,9 47,6 23,7 2i,8

49,O 25,l 22,5 67,O 70,i 72,5 56,7 58,5 88,4 81,8 74,O 83,2 80,8 70,7 100,o 99,5 52,8

238

I

239

2-Hydroxy-4-methoxybenzophenone


- 00131-57-7 - 61360 - SML = 6.0 mg/kg

Alternative names - Oxybenzone

Physical Characteristics - White crystalline powder, mp 63 - 65"C,

- Soluble in most organic solvents. bp 150 - 160°C (5 ~lltn Hg).



GC Retention time



- UV-stabilizer - General use.

- 38.2 min.

240

0 0 0

ln 0 c

0 0 0

ID m

- :B N - 0

ID m

9

c 7

0 0

N ln

m

0 0

ID ln N

m

0 0

v N m m

0 0

0 0 0

0 - 0 0

0 -

c)

I I a

k

CAS NO. 00131-57-7

24 1

PM Ref. No. 61360

2-HYDROXY-4-METHOXYBENZOPHENONE

Peak waven u m ber 461 .O 532.4 599.9 682.9 698.3 708.0 733.0 750.4 789.0 817.9 914.4 945.2 964.5 1026.3 1074.5 1 1 13.1 1 163.2 1178.7 1205.7 1225.0 1259.7 1304.0 1348.4 1381.2 1435.2 1444.9 1489.2 1506.6 1574.1 1595.3 1633.9 2947.6 2995.8 3017.0 3061.4

% T 69.2 69.0 43.0 43.1 36.0 28.0 58.4 40.2 41.6 29.0 34.5 51.7 51.5 34.6 40.6 30.3 37.4 38.8 27.3 21.7 15.0 43.3 23.4 30.6 30.5 29.5 43.0 31.1 23.7 17.5 85.8 84.4 84.4 85.6 89.0

Relative intensity 36.2 36.4 67.1 66.9 75.3 84.8 48.9 70.4 68.8 83.5 77.0 56.8 57.1 76.9 69.9 82.0 73.6 72.0 85.5 92.1 100.0 66.7 90.1 81.7 81.8 83.0 67.0 81 .O 89.8 97.0 16.7 18.3 18.4 17.0 12.9

242

2-Hy drox~-4-methox~benzouhenone

7

1

105

97 I I

22


41 50 51 52 53 77 79 95

3.8 8.1

27.2 11.3 8.1

52.9 9.0

15.5

105 108 128 151 152 227 228 229

Ion Intensity (%)

21.3 19.2 9.2

92.5 8.3

100.0 68.8 8.8



Scan Range : 40-500

243

4

244



Alternative names




GC Retention time

02440-22-4 61440 SML = 30 mg/kg with other benzotriazole derivatives

225 C13HllN30

Light yellow crystalline powder, mp 128 - 132°C. Soluble in benzene, toluene, acetone, chloroform.



UV-absorber. General use.

38.9 min.

245

0 0 0

u? 0 ..-

0 0 0

m m

0

0 0 *

0 0

0

N -

0 0

0 P- m 7

0 0

0 \o u? N

0 0

0

N m m

0 0

0 0 0

o w 0 0

0 N

cl

Y 9)

9) a I I

& M

246

CAS NO. 02440-22-4

24 2-HY DROXY-5-METHYLPHENYL)BENZOTRlAZOLE

Peak wavenumbe 439.8 472.6 561.4 580.6 628.9 661.7 688.7 713.8 748.5 769.7 800.6 817.9 873.9 897.0 922.1 939.5 953.0 974.2 991.5 1039.8 1070.6 1132.4 1145.9 1211.4 1223.0 1252.0 1275.1 1304.0 1338.8 1348.4 1392.8 1421.7 1446.8 1473.8 1514.3 1564.5 1578.0 1599.2 1628.1 1738.1 1799.8 1880.8 2858.9 2922.5 3024.8 3065.3 3096.1

% T 75.3 54.9 63.3 72.0 62.0 43.0 36.6 69.4 23.4 54.4 45.9 36.9 71.6 62.2 74.9 78.7 75.8 54.8 83.1 78.8 68.7 47.3 62.8 26.6 33.6 29.7 64.5 39.0 50.9 62.6 62.2 57.9 61.2 60.3 26.1 68.3 80.2 52.8 07.8 90.9 90.4 91 .o 88.2 80.1 75.5 68.3 69.5

telative intensity 32.3 58.8 47.9 36.5 49.6 74.4 82.8 40.0 100.0 59.6 70.6 82.4 37.1 49.3 32.8 27.8 31.7 59.0 22.1 27.6 40.8 68.8 48.6 95.9 86.8 91.8 46.4 79.6 64.1 48.8 49.3 55.0 50.7 51.8 96.5 41.4 25.8 61.6 15.9 11.9 12.5 11.7 15.3 26.0 32.0 41.4 39.8

PM Ref. No. 61440

247

100 -

80 -

60 -

4 0 -

20 -

.

2 2)

93

1 6 8 2 0 7 6?

39 5 1

1 1 7 8 1;4 ' 19; ' 2 2 4

208 7

2 7 5 0 !4 7; 7 9 94 113 GO 1411 167 1?2 r / I 1 1 1 , 1 I , I / 8 8 I , . , , I / , I , ,I , / , / , I . I , , I ,

50 1 0 0 1 5 0 200

1

M/Z Ion Intensity ( 7 % ) M/Z Ion Intensity (%)

39 9.1 51 8.3 65 12.8 66 14.7 93 21.5



Scan Range : 25-300

154 7.6 168 9.0 225 100.0 226 14.4 227 1 .o

249


Alternative names

2-Hydroxy-4-n-oct yloxybenzophenone

OH x I

acxL 0-




GC Retention time

- 01843-05-6 - 61600 - SML = 6.0 mglkg - C2,H2603 - 326

- Octabenzone Methanone, (2-hydroxy-4-(octyloxy)-phenyl) phenyl-

- Pale yellow powder, mp 45 - 46°C. - Soluble in alcohol, benzene.




- 50.3 min.

250

I I I I I I I I

0 0 8 0 0 0

0 0 0 0

0 0 0 0 0

s

0 0 0

0 -

f I /

i

- z g 0 - 0 0

0 z -

0

0 v 9

2

0 0

0 L n

Ll N

0 0

0

N r-l

m

0 0

Y a, 1 a, a

B

$ a E

d . .

B z

CAS NO. 01843-05-6

2-HYDROXY-4-n-OCTYLOXYBENZOPHENONE

Peak wavenumbe 407.0 464.9 518.9 536.3 603.8 628.9 652.0 698.3 725.3 738.8 781.3 806.3 833.4 854.6 920.2 933.7 978.0 1020.5 1041.7 1074.5

1120.8 1169.0 1197.9 1226.9 1267.4 1352.3 1379.3 1406.3 1419.8 1444.9 1471.9 1496.9

1576.0 1597.3 1630.1 2920.6 2955.3 3055.6

% T 92.5 85.0 94.6 78.0 91.2 51.4 94.8 38.2 87.0 76.5 64.8 54.6 73.2 67.6 72.8 63.9 69.9 69.0 90.3 87.1 51.3 79.9 52.6 51.5 24.2 38.3 52.2 79.5 80.5 73.1 71.3 71.3

42.3 33.8 28.9 42.9 53.2 89.6

telative intensity 9.9 19.8 7.1

29.0 11.7 64.1 6.8 81.5 17.1 31.1 46.4 59.9 35.3 42.8 36.0 47.6 39.8 41.0 12.8 17.1 64.3 26.5 62.6 64.0 100.0 81.5 63.1 27.1 25.7 35.5 37.9

37.8

76.1 87.4 93.9 75.4 61.8 13.7

25 1

PM Ref. No. 61600

100 -

80 -

60 -

1

I I

2-Hydroxy-4-n-octyloxybenzophenone

2

137 I

07 I 18; 1,97

d o

MJZ Ion Intensity (%)

41 43 55 57 69 77 105 107 108 128


41.4 38.4 14.9 10.1 6.9

26.5 42.7 7.4 7.0 8.9

I 200

14

325 1

J;, , , , , , , , , , , , 1 , , , , ,I, 2 5 0 300


136 137 185 197 213 214 215 325 326 327


5.6 47.5 6.0 7.0

100.0 41.7 7.3

15.5 31.1 5.8

253

1

254

t e r t


Alternative names




GC Retention time

Butyl OH HO t e r t . Butyl

- 00088-24-4 - 66400 - SML = 1.5 mg/kg With PM Ref. No. 66480 - C25H3602 - 368

- Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl) methane

- White powder, mp 119 - 122°C. - Soluble in acetone, benzene, alcohol,

chloroform.




- 46.4 min.

255

_z

b

I I I I I 1 I I

0 0 0

OI 7

0 0 0

d

0 0 0

m ro

0 0 0

r- h m

a3ueJqysueJl x

0

0 0 .o

0 0

0

N -

0 0

0 d m 7

0 0

0 ro lr N

0 0

0

N m m

0 0

0 0 0

0 - 0 0

Ll m

h d

..

256

CAS NO. 00088-24-4 PM Ref. No. 66400

2,2’-METHY LENEBIS(4-ETHYL-6-TERT-BUTY LPHENOL)

Peak wavenum be 418.6 760.1 798.6 881.6 1147.8 1 178.7 1199.9 1225.0 1252.0

1288.6 1323.3 1363.8 1394.7 1427.5 1458.4 1471.9 2930.2 2961.1 3530.2

% T 71.7 89.5 86.5 71.6 89.4 58.5 71.8 71.2 81.1 86.5 78.7 81.1 89.6 78.6 67.4 61.8 66.5 41.1 40.9

qelative intensity 48.0 17.8 22.9 48.1 17.9 70.2 47.7 48.8 32.0

22.9 36.1

32.1 17.6 36.3 55.1 64.6 56.8 99.7 100.0

257


57 18.6 135 20.5 14 1 14.7 163 41.1 175 58.1 178 68.0

L92 312 I

~, , , , , , , , , , :;6,, , , , , I , , , , , , , , , , , I 200 250 300 3 5 0


191 100.0 192 13.5 256 2.6 3 12 13.6 368 36.2 369 9.3



Scan Range : 25-400

258

L

L

-7

259


t e r t . Butyl t e r t . Butyl

CH3

Alternative names


Handling; Safety Availability


GC Retention time

- 00119-47-1 - 66480 - SML = 1.5 mg/kg With PM Ref. No. 66400 - C23H3202 - 340

- Di(2-hydroxy-3-tert-butyl-5-methylphenyl) methane

- White powder, mp approx. 125°C. - Soluble in most organic solvents.




- 44.9 min.

260

-> P-

0 0 0

c r-

0 C

C m

m ni

0 0

0 c, 0 U

CAS NO. 00119-47-1

26 1

PM Ref. No. 66480

Peak wavenumber 418,6 453,3 474,6 520,8 555,6 582,6 619,2 760,l 775,5 802,5 858,4 868,l 897,O 910,5 927,9 1024,3 11 15,O 1 130,4 1 1 55,5 1 192,2 1232,7 1257,7 1284,8 1306,O 1367,7 1388,9 1400,5 1442,9 1479,6 1597,3 2872,4 2918,7 2957,2 3007,4 3265,9 3393,2 3603,5

% T 86,3 90,6 87,7 90,l 87,O 79,l 87,7 79,8 82,9 78,6 76,l 67,4 88,4 86,4 86,6 87,7 81,8 68,O 71,l 68,3 47,5 72,7 79,8 86,2 70,l 72,9 79, I 49,6 53,3 91,2 67,4 61,4 44,5 81,4 90,6 31,3 43,3

Relative intensity 19,9 13,7 17,9 14,4 18,9 30,4 17,9 29,4 24,9 31,2 34,8 47,5 16,9 19,8 19,5 17,9 26,5 46,6 42,l 46,2 76,4 39,7 29,4 20,I 43,5 39,5 30,4 73,4 68,O 12,8 47,5 56,2 80,8 27,l 13,7

100,o 82,6

262

I

1

7

1

340 1

284 I

2 7 g ,y5 2 2 8 I

I I I1 1 " ~ ~ " " ' 1 " ' ~ " ' ~ ' 1 ~ ~ ' ~ ~ ' ~ '

117


41 57 91 105 121 127 133 141 149

10.1 15.5 8.4 9.3

20.7 22.3 10.0 13.0 39.5

155 161 162 164 177 178 284 340 34 1

Ion Intensity (%)

18.6 63 .O 10.2 56.2

100.0 14.1 11.2 34.3 7.1



Scan Range : 35-450

001 19-47-1 2,2'-METHYLENEBIS(4-METHY L-6-TERT-BUTYLPHENOL) k-j 16384

N m w

264


Alternative names


S C H 2 -



- 04066-02-8 - 66560 - SML = 3.0 mg/kg With PM Ref. No. 66580 - C*,H,,O, - 392

- Bis(2-hydroxy-3-cyclohexyl-5-methyl- pheny1)methane

- White powder, mp approx. 125°C. - Soluble in acetone, alcohol, ethyl acetate.



- Antioxidant. - Styrene co-polymers, rubber.


- =

f 7

\

3 0 D

m m

0

0 0 v

0 0

0

2 c

0 0

0 -r 05 -

0 0

0 rc r, N

0 0

0

m R

0 0

0 0 0

0 - 0 0

0 cu

266

CAS NO. 04066-02-8 PM Ref. No. 66560

2,2'-M ETHY LENEBIS(4-METHY L-6- CYCLOHEXYLPHENOL)

Peak wavenum ber 410,9 439,8 468,8 540,l 572,9 605,7 767,8 783,2 852,6 860,4

1 124,6 1 153,6 1188,3 1230,7 1265,5 1358,l 1450,7 1475,7 2853,l 2922,5 3350,8

3491,6

% T 77,7 93,5 91,4 88,7 84,O 81 ,O 88,5 85,4 83,9 78,7 73,2 71,4 53,6 65,6 77,5 82,6 57,7 459 48,2 28,4 63,O 56,l

Relative intensity 31,1

9,1 12,0

15,8 22,3 26,5 16,1

20,4 22,5 29,7

37,4 39,9 64,8 48,0

31,4 24,3 59,1

75,5 72,3 100,0

51,7

61,3

267

2

3 92


55 91 105 121 133 134 135 147

16.6 8.1

10.2 33.3 21.3 14.1 9.7

16.7

190 191 203 204 310 392 393

L

Ion Intensity (%)

100.0 8.3

93.6 12.9 6.8

60.6 14.8



Scan Range : 35-500

269

Monochlorobenzene


Alternative names




- 00108-90-7 - 67280 - SML = 36 mg/kg - C,HQ - 112

- Chlorobenzene

- Colourless liquid, mp - 45"C, bp 131 - 132°C. - Soluble in alcohol, benzene, ether, chloroform.

- Store at room temperature. - Harmful. - Standard sample was supplied.

- Solvent. - PC, PSO.


270

0 0 0

rl 0

0 0 0

u3 m

- 0

0 0 w

0 0

0 N - 7

0 0

0 .0

m

0 0

0 \D Ln N

0 0

0

N m m

0 0

0 0 0

0 . 0 0 0

0 c

CAS NO. 00108-90-7

MONOCHLOROBENZENE

Peak wavenumbei 416.7 468.8 61 3.4 684.8 702.2 740.8 902.8 935.6 1003.1 1022.4 1068.7 1084.1 1 122.7 1446.8 1477.7 1583.8 1730.4 1788.2 1863.5 1944.5 3026.7 3071.1

% T 60.5 36.4 93.3 28.2 30.4 17.1 66.7 89.6 66.5 34.8 50.6 27.7 60.8 38.2 19.5 36.0 86.9 85.9 82.3 81.7 82.1 60.3

27 I

PM Ref. No. 67280

qelative intensity 47.7 76.7 8.1 86.6 84.0 100.0 40.1 12.5 40.4 78.6 59.6 87.2 47.3 74.5 97.0 77.1 15.7 17.0 21.4 22.0 21.6 47.8

272

100 -

80 -

6 0 -

40 -

Monochlorobenzene

2 0 -

38 1 4

50

I I 1 I 2 8 :2

7

97

I I I


37 38 39 49 50 51 56 73 74

3.7 75 8.8 76 2.1 77 2.6 78

21.5 97 21.1 112 4.2 113 3.1 114 7.8 115

Ion Intensity (%)

7.2 4.4

55.1 3.2 0.4

100.0 6.4

30.9 1.9



Scan Range : 25-500

274

l-Octadecanol

CAS No. - 00112-92-5 PM Ref. No. - 68225 Restrictions - None Formula - ~18H380 Molecular weight - 270

Alternative names - Stearyl alcohol

Physical Characteristics - White flakes or granules, mp 56 - 60"C,

- Soluble in most organic solvents. bp 210°C (15 mm Hg).

Handling Safetv Availabilitv


GC Retention time



- Lubricant, - General use.

- 39.7 min.

105 000

I M 0110

63.000 OJ 0 c m

Y - -4 E m

42.000 c

s

21 000

0 000 I

1840.00 1120.00 400.0 4000.00 3280.00 2560.00

cm-'

Name : 1-OCTADECANOL

PM Nr :68225 CAS Nr : 001 12-92-5 KBr pellet

276

CAS NO. 00112-92-5

1 -0ctadecanol

Peak wavenumbe 526.6 572.9

603.8

71 9.5 731.1

968.4

983.8 1005.0

1024.3

1039.7 1062.9

1317.5

1333.0

1363.8

1373.5 1425.6 1464.2 1473.8 2633.2 2849.2 2918.7 2955.3 3233.1

% T 94.6

94.1

87.9 45.1

49.6

84.3

78.1 70.6

63.9

62.0 30.9

88.5

85.6

84.1

81.1

76.9 27.9 32.5 85.9 4.0 2.3

20.7 37.1

PM Ref. No. 68225

3elative intensity 5.5

6.0

12.4 56.2

51.6

16.1

22.4 30.1

36.9

38.9 70.7

11.8

14.7

16.3

19.3

23.6 73.8 69.1 14.4 98.3 100.0 81.2 64.4

277

1 -0ctadecanol

100 -

80 -

6 0 -

40 -

2 0 -

35 7

111

126 139

9 , 1 : , , 'I[ , [, ;,:4,168 ,'", , 1;; , , , 2 f 4 , , , 2)2, , , ,

3 150 200 250


41 43 55 56 57 67 68 69 71 82


69.2 100.0 93.1 43.7 79.9 12.6 28.2 73.6 34.5 33.4


83 84 85 97 98 111 112 125 224 225

77.9 23.9 18.6 59.0 13.6 32.0 8.7

13.4 1.5 0.7

16384 SW 6494 NS

[E) I") 001 12-92-5 1 -0CTADECANOL

r

279

Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate

t e r t . Butyl,

t e r t . Buty l


Alternative names




GC Retention time

- 02082-79-3 - 68320 - SML = 6.0 mglkg - C35H62O3 - 530

- Benzenepropanoic acid, 3,5-bis( 1, l-dimethyl- ethyl)-Chydroxy-, octadecyl ester

- White powder or flakes, mp 51.5 - 52.5"C. - Soluble in acetone, acetic acid, benzene,

chloroform, hexane.




- 61.1 min.

280

I

?-====-

: I t ' '

0 0 0

ln z

f

0 0 0

0 m

0 0 0

ln p'

0 0 0

0 Ln

0 0 0

ln PI

0 0 0

0 m

awe~qysuwl

- 9 'E 4 0 0

0 0

0 w c r

0

9 m m Ln

c

0 0

N b ln N

0 0

Ln

N m m

0 0

Y P) E: k & M

L

b ..

CAS NO. 02082-79-3

28 1

PM Ref. No. 68320

OCTADECYL 3-(3,5-DI-TERT-BUTYL-4-HY DROXYPHENY L) PROPIONATE

Peak wavenumbe 721.5 744.6 771.6 785.1 796.7 875.8 1070.6 1122.7 1 153.6 1 178.7 1236.5 1277.0 1435.2 1469.9 1728.4 2851.1 2918.7 2957.2

Yo T 90.4 91.3 92.5 94.4 94.5 89.1 82.6 71.5 78.7 64.3 81.9 63.0 77.1 74.3 40.7 58.0 43.6 54.73


100 -

80 -

60 -

40 -

20 -

Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate

5'

I,

5 3i

Jj;;J12,, ~ ~ ~ * , 1 , , , , , , , , , I , , , , , , , , , I_;,

263 I

0 2 0 0 3 0 0 400 5 0 0

M I Z Ion Intensity (%) MIZ Ion Intensity (%)

43 55 57 69 71 83 97 1 1 1 147 149


40.5 30.7

100.0 19.9 14.8 13.7 9.2 3.8

13.4 11.3

: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV 40-600

161 203 207 219 263 278 515 530 53 1 532

9.2 9.7

15.0 29.3 3.2 3.9

10.9 53.8 20.9 3.4

283

t

284

Oleamide


Alternative names




GC Retention time

- 00301-02-0 - 68960 - None - C,*H,NO - 281

- 9-Octadecenoic acid, amide

- Yellow pearls, mp 76"C, bp decomposes. - Soluble in alcohol, ether, toluene.



- Antistatic agent, antiblocking agent. - Polyolefins.

- 44.1 min.

285

I 1

i i - - -

W

I I I I I I I

0 0 0

ln 0

0 0 0

u3 m

0 0 0

m N

0 0 0

w

0 0 0

h u3 m

a3ueJJrwsueJl x

- ? 'a

0 0

0 N

c c

0

0 w ?

m

0 0

0 u3 In N

0 0

0

N m m

0 0

0 0 0

o w 0 0

0 7

s Y U

.. s E a

..

286

CAS NO. 00301-02-0


528.6 640.4 702.2 721.5 964.5 1412.1 1425.6 1469.9 1633.9 1659.0 2851.1 2920.6 2957.2 3362.3

OLEAMIDE

% T 90.7 94.9

90.9 77.2 67.3 71.5 69.9 54.4 50.5 45.9 23.4 25.3 24.2 12.6 45.7 30.2

PM Ref. No. 68960

qelative intensity 10.6 5.8 10.4 26.1 37.4 32.6 34.4 52.2 56.7 61.9 87.7 85.4 86.7 100.0 62.1 79.9

287

5 9 1 0 0 -

8 0 -

60 -

40 -

4 1

~ 43 - - _ I

2 0 -

J, I I.//. 50

Oleamide

I

.j

Ion Intensity (%) M/Z Ion Intensity (5%)

30.5 23.4 13.8 31.5

100.0 11.9 10.0 15.2 60.8 8.1

: Finnigan Mat S S Q 700 : Capillary GUMS

98 112 126 140 154 168 184 23 8 264 28 1

7.6 8.7

10.0 3.68 2.8 1.3 2.0 1.7 1.4 2.7


289

Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated)



Alternative names




- 08002-74-2 and 63231-60-7 - 71281 - SML = 3.0 mg/kg for all

hydrogenated products - C"H*"+*

- White crystalline powder, mp 50 - - Soluble in toluene, benzene, chloroform, ether.

- Store below 4°C.


- Lubricant. - PS, PVC, PP, PE.

GC Retention time

290

Y

0 0 0

v m

0 0 0

0

- 0 '8 0 0 -r

0

0 N

9

c c

0 0

0 v m 7

0 0

0 u3 in N

0

0

N m

9 m

0

29 1

CAS NO. 08002-74-2 and 63231-60-7 PM Ref. No. 71281

PARAFFIN WAXES AND HYDROCARBON WAXES MICROCRYSTALLINE

Peak wavenumbed % T I Relative intensitv 719.5 729.2 1464.2 1473.8 2849.2 2916.7 2955.3

50.0

53.7 37.2 40.6 7.7 4.9

29.5

52.6 48.7 66.0 62.5 97.1 100.0 74.1

292

m e 6,

I I

Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated)

- 1 7 , " 1 ' 1 ' I ' ~ " " ' " ~

100 200 300 400 500 600 700 800 PO0 Mil


41 43 55 56 57 69 70 71 83 85

14.7 34.7 18.0 12.7 96.7 19.3 13.3

100.0 18.7 70.0

MIZ

97 99 111 113 127 141 155 169 183 197

Ion Intensity (%)

19.3 28.0 9.3

21.3 16.7 15.3 13.3 14.7 13.3 10.0


8002-74-2 PARAFFIN WAXES AND HYDROCARBON WAXES MICROCRYSTALLINE 16384

SW 6494 NS

294

Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)


t e r t . Butyl 0

HO*CH2-CH2-C-O-CH2 II

t e r t . Butyl

0

t e r t . Butyl L

H O ~ C H 2 - C H 2 - ? - O - C H 2

t e r t . Butyl

Alternative names




- 06683-19-8 - 71680 - None - C73Hl08Ol2 - 1178

-C

4

- Tetrakis(methylene(3,5-di-tert-butyl-4-hydroxy- hydr0cinnate))methane

- White powder, mp 110 - 125°C. - Soluble in acetone, benzene, acetic acid,

chloroform.



- Antioxidant and heat stabilizer. - General use.

GC Retention time

295

U

0 0 v

0 0

0 N ,-- -

0 i3

0 * ?

0 0

0 \D m ry

0 0

0

0 1 m m

0 0

0 0

= s 8

Y

296

CAS NO. 06683-19-8 PM Ref. No. 71680

PENTAERYTHRITOL TETRAKIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPIONATE

Peak wavenumber 422,5 453,3 499,6 538,2 572,9 599,9 619,2 771,6

873,9 889,3 931,7 960,7 987,7 1045,6 1 142,O 1215,3 1232,7 1277,O 1317,5 1360,O

1377,3 1388,9 1437,l 1469,9 1740,O 2878,l 2930,2 2963,O 3626,6

'/o T 79,7 89,l 81,9 88,l 87,1

87,6 83,O 79,O 68,O 80,5 80,2 90,l 78,8 71,4 22,8 70,3 59,O 60,4

68,6 66,4 74,4

69,4 47,7

61,2 26,8 72,4 60,2 45,9 49,4

Relative intensity 26,3 14,1

23,5 15,4 16,7 16,1 22,0

27,2 41,5 25,3 25,7 12,8 27,5 37,1

100,0

38,5 53,1

51,3

40,7 433 33,2

39,7 67,8 50,3 94,9 35,8 51,6 70,1

65,6

- Solvent C D C b SF 250.13

;:-I; ] C A S ~ " ] Name 06683-1 9-8 PENTAERYTHRITOL TETRAKIS (3-(3,5-DI-TERT-

BUTYL-4-HYDROXWHENYL) PROPIONATE! SI 16384 SW 3125 NS 16 -

29 8

2-Phenylindole


Alternative names




GC Retention time

- 00948-65-2 - 72160 - SML = 15 mg/kg - C,,H,,N - 193

- White powder, mp 188 - 19O"C,




- Antioxidant. - PVC, PVDC.

- 38.5 min.

299

0

0 0 d

0 0

0

2 7

0 0

0 d

00

0

0 L o In N

9

8 B N m

0 0

0 0 0

0 - t 0 0

m d

0 0 0

h Ln

0 0 0

0 0 0 - rn m \D

0 0 0

m o\

0 0 0

In z a3uelqruisueJl x

3 00

CAS NO. 00948-65-2

2-PHENYLINDOLE

Peak wavenumber 420,5 466,8 509,3 688,7 742,7 763,9 796,7 1300,2 1338,8 1352,3 1402,4 1446,8 1458,4 1481,5 3443,4

O/o T 65,4 93,O 71,5 63,7 49,6 67,7 79,l 81,9 88,2 81,5

78,2 74,3

83,7 i6, l

a5,i

PM Ref. No. 72160

Relative intensity 68,6 13,9 56,5 71,9 99,9 64,O 41,4 35,9 23,4 36,7 29,5 43,2 50,9 32,3 47,4

301

89

13<9 164

15:

2-Phenvlindole

1 9 2

190 1

' ' I

L47 178 I

100

80

60

40

2 0

1

I


51 11.3 63 10.9 89 22.4 90 10.3 115 6.2 139 8.5 164 8.6

165 166 178 192 193 194 195

t

Ion Intensity (%)

44.9 9.0 0.7

14.0 100.0 16.2 1.1



Scan Range : 40-500

303


Alternative names

Phosphoric acid, diphenyl 2-ethylhexyl ester

0 C2H5 O=.P-O-CH2-CH-C4H9 9 I I

I I 0




GC Retention time

- 01241-94-7 - 72800 - SML = 3.0 mglkg - C*,H2,O,P - 362

- 2-Ethylhexyl diphenyl phosphate

- Colourless liquid, mp -3O"C, bp 375°C. - Soluble in alcohol, ether, benzene, chloroform.



- Plastizicer. - Inks, PVC.

- 45.1 min.

304

1

(yl CI 0 0

h m

CAS NO. 01241-94-7

305

PM Ref. No. 72800

PHOSPHORIC ACID, DIPHENYL 2-ETHYLHEXYL ESTER

Peak wavenumber I % T I Relative intensity 428,3 526,6 580,6 617,3 644,3 688,7 771,6 904,7 951 ,O 1024,3 1163,2 1 192,2 1221,l 1294,4 1466,l 1491,2 1593,4 2862,7 2932,2 2961,l

92,9 77,8 88,l

85,7 94,8 56,3 59,2 82,O 22,2 31,l 57,7 27,6 56,7 47,7 74,3 36,8 61,4 68,2

52, f 50,3

9,1 28,5 15,3 18,4

6,7 56,2 52,5 23,l 100,o 88,6 54,4 93,l 55,7 67,3 33,l 81,3 49,6 40,9

61,6 63,9

306

60 -

40 -

20 - -

Phosphoric acid, diphenyl 2-ethylhexyl ester

94, 175

77 4 4

2

I 55 1 7 4

9 5 112 1 5 2 232 j ig5 , 1, 217 I

1

/ " " " " ' I "

3 6 2

1 ' " ' 1 ' 7 ' / ' ' 7 ' '

MJZ Ion Intensity (%) MJZ Ion Intensity (%)

41 12.9 43 10.4 55 9.1 77 11.1 94 2.5 175 16.7

Spectrometer Inletsystem : Capillary GC/MS Source Temperature : 180°C Electron Energy : 70 eV


Scan Range 25-450

249 11.7 250 21.9 25 1 100.0 252 12.1 362 9.4 363 1.7

307

t

308


Alternative names

Phosphoric acid, tributoxyethyl ester




r 1

GC Retention time

- 00078-51-3 - 73600 - SML = 3.0 mglkg - C,*H,,O,P - 398

- 2-Butoxyethanol, phosphate

- Colourless liquid, mp - 70"C,

- Soluble in most organic solvents. bp 215 - 228°C (4 IIXII Hg).



- Plasticizer, flame retardant. - Paper.

- 44.9 min.

- Not widely used for plastic food contact materials.

309

0 0 0

ln 0

0 0 0

m m

0 0 0

h m

0 0 0

0 0 0

F w h ul

asueqqrwsued l x

- 0 *g 0 0 d

0 0

0 N

c 7

0 0

0 d

m

0 0

0 \D m N

0 0

0

N m m

0 0

0

o w 0 0

0 N

8

Y

.I m aJ

&

3 M

X 0 L

L ..

310

Yo T 91,9 89,6 76,6 42,5 26,7 39,9 52,9 82,2

83,6

72,3 47,7 48,O 43,8

CAS NO. 00078-51-3 PM Ref. No. 73600

Relative intensity 11,o 14,2 31,9 78,4 100,o 82,O 64,2 24,3 22,4

37,8

71,3 70,9 76,7

PHOSPHORIC ACID, TRIBUTOXYETHYL ESTER

Peak wavenumber 428,3 476,5 817,9 987,7 1043,6 1 134,3 1279,O

1365,8 1381,2

1460,3 2872,4 2936,O 2959,2

311

12;

199

100 I 227 I

153 I

2 4 9

225

207 243 p 3 271 355 I r 1

c 81 113 ?39 171

J,l,, jly, )!III:, 1 , , I , , I ( , , I ! , I , ' ( , / ' I , ,!", , 1

I , , , I , ! , , ! , , , , , " , , , , , , , , ,

Phosphoric acid, tributoxyethyl ester

57

8

M/Z

41 45 55 56 57 85 99 100 101

Ion Intensity (%)

40.7 67.4 11.5 64.5

100.0 47.2 19.4 20.8 18.0

M/Z

125 153 154 155 199 227 299 355

Ion Intensity (%)

39.4 18.2 11.3 11.6 24.1 21 .o 13.8 1.8


3 12

L

313

Phosphoric acid, tributyl ester


Alternative names




- 00126-73-8 - 73680 - SML = 3.0 mg/kg - C12H27OP - 266

- Tributyl phosphate

- Colourless liquid, mp < -8O"C, bp 289°C with decomposition.

- Soluble in most organic solvents.


- Plasticizer. - Cellulose esters.


314

0 0 0

Ln 0 7

0 0 0

N m

0 0 0

m Ln

0 0 0

Ln \o

0 0 0

PI m

aXJe~q!wsueJ~ x

- 0 '

g 6 0

0 0

0

2 -

0 0

0 v m

0 0

0 Ln Ln N

0 0

0

N m m

0 0

0 0 0

0 - 0 0

0 .cT

.. 2

CAS NO. 00126-73-8

315

PM Ref. No. 73680

PHOSPHORIC ACID, TRIBUTYL ESTER

Peak w aven u m be1 544.0 555.6 993.5 1028.2 1282.8 1466.1 2876.2 2936.0 2961.1

% T 94.4 93.8 61 .O 43.4 71.5 88.4 81.9 75.9 64.3

qelative intensitv 9.8 11.0 69.0 100.0 50.4 20.5 32.0 42.6 63.1

316

100 -

80 -

60 -

Phosphoric acid, tributyl ester

5 0 1

155

>l;;, p:,;, ; r 3 , , ,I , , ."I;, , , , , , , , , 1 5 0 200 250

M/Z Ion Intensity (%) MIZ

27 28 29 39 41 43 55 56

4.7 5.6

15.9 3.1

18.2 2.4 5.9 3.9

57 99 111 125 137 155 21 1 237

Ion Intensity (%)

14.6 100.0

2.4 6.5 4.0

23.9 13.0 0.4



Scan Range : 25-500

318


Alternative names


Handling, Safety Availability


GC Retention time

Phosphoric acid, triisobutyl ester

3

- 00126-71-6 - 73840 - SML = 3.0 mg/kg - C,,H*,O,P - 266

- Triisobutyl phosphate

- Colourless liquid, mp abt. -8O"C, bp 264°C. - Soluble in alcohol, ether, benzene, water.



- Plasticizer. - Cellulose esters.

- 27.5 min.

319

0 0 0

ul m

0 0 0

m N

0 0 0

d

0 0 0

r. ul

m

a3ueJJ!usueJi x

0

0 0 d

0 0

0 -3- m F

0 0

0 ul m N

0 0

0

N m m

0 0

0 0 0

0 - 0 0

0 c

& M

V

..

320

CAS NO. 00126-71-6 PM Ref. No. 73840

PHOSPHORIC ACID, TRIISOBUTYL ESTER

Peak wavenumbei 418.6 542.1 879.7 918.2 964.5 1022.4 1284.8 1369.6 1396.6 1471.9 2876.2 2963.0

Yo T 88.1 84.6 67.4 86.2 76.1 13.7 57.0 84.1 87.8 72.8 71 . I 45.3

3elative intensity 13.8 17.8 37.8 16.0 27.7 100.0 49.9 18.5 14.1 31.6 33.5 63.5

32 1

100

80

60

40

2 0

Phosphoric acid, triisobutyl ester

,lTf;, , ; 9 r 1 , , I , , , , , , , , I , , , , , ,

150 260 250


32 41 43 55 56 57 99 112

4.0 7.2

2.49 3.8 2.8

13.8 100.0

8.7

113 137 139 153 155 156 167 21 1

Ion Intensity (%)

6.2 3.9

13.3 4.2

42.5 2.19 5.8

15.8



Scan Range : 25-500

323


Alternative names

Phosphoric acid, triphenyl ester


3



GC Retention time

- 00115-86-6 - 73920 - SML = 3.0 mg/kg - C,*H*,O,P - 326

- Triphenyl phosphate

- White crystalline powder, mp 50 - 51 "C,




- Plasticizer, flame retardant. - Paper.

- 44.4 min.

- Not widely used for plastic food contact materials.

324

- 9 g 0 0 d

0 0 0

8 0 8 8 8 0 0

0, ro

0 0

PI

0

In - m m

- In m

lIl

0

Y

I I Q)

u a

0 0

0 u. m

0 0

0 I0 In N

8 0

cu m m

0 0

CAS NO. 00115-86-6

325

PM Ref. No. 73920

PHOSPHORIC ACID,TRIPHENYL ESTER

Peak wavenum ber 41 8.6 441.8

466.8

499.6 518.9 565.2 580.6 596.1 690.6 727.3 752.3 769.7 787.1 846.9 914.4 953.0 1008.9 1022.4 1070.6 1 163.2 1176.7 1234.6 1294.4 1454.5 1485.4 1589.5 1952.2

3061.4

% T 85.1 93.2 73.7

66.6 55.8 73.7 73.9 86.1 51.4 90.0 63.6 40.9 58.9 89.2 56.7 21.7

40.9 57.3 74.7

39.3 33.0 67.8 36.9 72.1 43.1 58.7

90.1 78.4

Relative intensity 19.0 8.7 33.6

42.7

56.5 33.6 33.4 17.8 62.1 12.8 46.5 75.5 52.5 13.8 55.3 100.0

75.5 54.6 32.3 77.6 85.6 41.2 80.6 35.7 72.7 52.8 12.7

27.6

326

Phosphoric acid, triphenyl ester

3 2.

MJZ Ion Intensity (%) MJZ

51 65 77 78 93 94 139 141 152 168

27.6 48.1 93.8 7.0

10.0 33.3 9.8

11.6 10.0 15.5

169 170 215 228 232 233 325 326 327 328

Ion Intensity (%)

28.5 36.3 27.2 14.8 16.0 20.7 83.0

100.0 16.3 2.2



Scan Range : 40-500

328

Phosphoric acid, tris(2-ethylhexyl) ester

CAS No. - 00078-42-2 PM Ref. No. - 74000 Restrictions - SML = 3.0 mg/kg Formula - C24H5IO4P Molecular weight - 434

Alternative names - Trioctyl phosphate, Tri(Zethylhexy1) phosphate

Physical Characteristics - Colourless liquid, mp -74"C,

- Soluble in alcohol, acetone, ether. bp 215°C (4 mm Hg).





- Lubricant, plasticizer. - Inks, PVC.


329

0 0 0

Q m

0 0 c)

h Q

0 0 0

oc v

0

0 0 *

0 0

0 cu 7 -

0 0

0 0

co -

0 0

0 10

2

0 0

0 a, Tu m

0 0

330

CAS NO. 00078-42-2 PM Ref. No. 74000

PHOSPHORIC ACI D, TR IS(2- ETHY LH EXY L) ESTER

Peak wavenumber 434,O 474,6 586,4 611,5 727,3 769,7 885,4 1022,4 1269,3 1284,8 2862,7 2932,2 2961,l

'/o T 93,4 92,3 94,7 94,3 94,4 91,3 78,O 21,2 66,l

62,2 53,O 32,8 30,5

Relative intensity 8,4 9,8 6,7

7,1 11,o 27,9 100,o 43,O 48,O 59,6 85,3 88,2

72

33 1

323 I

125 153 181

I

MIZ

41 43 55 57 69 71 83


Phosphoric acid, tris(2-ethylhexyl) ester

113 I

I


5.1 6.9 6.1

13.1 5.3

10.5 2.4

: Finnigan Mat SSQ 700 : Capillary GCIMS

99 100.0 112 5.9 113 23.5 21 1 10.0 212 0.7 323 6.0 324 1 .o


W W h,

00078-42-2 PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER

16384

333

Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester


Alternative names




GC Retention time

t .

- 31570-04-4 - 74240 - None - C42H63O3P - 646.94

1

Butyl

3

- Tris(2,4-di-tert-butylphenyl)phosphite

- White powder, mp 180 - 185°C. - Soluble in most organic solvents.



- Stabilizer, co-stabilizer - General use.

- 58.9 min. - Di-tert-butylphenol27.7 min. - Tris(2,4-di-tert-bntyIphenyl)phosphate 49.2 min.

334

i

0 0 0

ul

0

0 0 0

m m

0 0 0

h 7

0 0 0

v ln

0 0 0

h W

- 9 'E

0 0

0

2 -

0 0

0 w m -

0

0 a ul N

9

0 0

0

N m m

0 0

0 0 0

0 - 4 - 0 0

0 N

0 51

0 51 a

k

..

CAS NO. 31570-04-4

335

PM Ref. No. 74240

PHOSPHOROUS ACID, TRIS(2,4 DI-TERT-BUTYLPHENYL) ESTER

Peak wavenumbe 410.9 434.0 495.8 580.6 646.2 661.7 692.5 727.3 775.5 825.6 854.6 889.3 906.7 1082.2 1 126.6 1 155.5 1 196.0 1213.4 1248.1 1275.1 1361.9 1398.6 1462.2 1491.2 2868.5 2932.2 2961 .I

% T 88.6 88.5 82.5 84.0 82.2 87.8 71.8

89.2 56.4 67.2 29.1 79.5 58.0 51.1 87.2 82.4 45.2 46.62 74.25 78.85 66.44 70.91 79.29 49.82 69.26 61 -79 45.48

qelative intensity 16.1 16.2 24.7 22.5 25.1 17.2 39.8 15.2 61.5 46.2 100.0 28.9 59.3 68.9 18.0 24.8 77.3 75.3 36.3 29.8 47.3 41 .O 29.2 70.8 43.3 53.9 76.9

336

Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester

M/Z Ion Intensity (%) MIZ Ion Intensity (%)

41 16.6 55 5.5 57 100.0 58 4.3 91 5.0 105 2.5 147 19.7

191 10.3 308 4.0 44 1 16.5 646 4.4 647 1.7 648 0.3



Scan Range : 40-700

337

Di-tert-butylphenol

l!


41 43 57 58 73 74 88 91

18.6 4.6

39.0 3.4 8.9

11.6 4.6 6.5

145 163 175 191 192 206 207 208

206 :: 200

Ion Intensity (%)

4.3 5.6 3.4 100

12.7 21.9 3.7 0.5

Spectrometer Inletsystem : Capillary GC/MS Source Temperature : 180°C Electron Energy : 70 eV


Scan Range : 40-700

338

1 0 0 -

80 -

60 -

40 -

2 0 -

i

3

9 1 1 4 7 j9

I l j 1 l / / , , / I

2 0 7

I 2 5 3 2 9 1 1 , 1 , , I

3 5 5 5 9 1 I i

400 500 600 I ' " " ' " ' / ' " " ' " l ' ' '

MJZ Ion Intensity (%) MJZ Ion Intensity ( a )

41 31.7 55 8.6 57 100.0 91 7.0 I19 3.7 147 6.4

175 3.8 191 11.9 316 35.6 647 46.5 662 11.6 663 2.7



Scan Range : 40-700

i" 74240 PHOSPHOROUS ACID, TRIS(2,4-DI-tert-BUTYLPHENYL) ESTER

W W \o

340

Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester


Alternative names




GC Retention time

- 26523-78-4 and 01333-21-7 - 74400 - SML = 30 mg/kg - n = 1 and/or 2

- Tris(nonylpheny1)phosphite

- Slightly yellow viscous liquid. - Soluble in most organic solvents.



- Stabilizer, antioxidant. - General use.

- Degradation product, cluster 31.8 - 33.3 min.

341

D D D

0 - r D

0

0 0 0

7 ‘ 0 N

0 0 0

N T

D 0 D

P7 a

D 0 D

T

D D D

hn D m F

Y a, 1 a, a

h

342

CAS NO. 26523-78-4 and 00133-21-7 PM Ref. No. 74400

PHOSPHOROUS ACID, TRISINONYL and/or DINONYLPHENYL)

Peak wavenumber 405,l 428,3 509,3 522,8 569,l 632,7 657,8 731,l 752,3 835,3 870,O 916,3 1016,6 1093,8 1113,l 1172,9 1211,4 1365,8 1379,3 1410,l 1466,l 1504-7 1583,8 1603,O 1892,4 2386,2 2727,7 2872,4 2932,2 2963,O 3038,3 3752,O 3854,2

ESTER Yo T 87,3 79,3 83,9 82,4 65,l 67,7 79,5 49,5 25,6 1 1 , l 23 23,4 36,6 74,O 60,7 3,5 3,4 45,3 33,O 62,8 22,8 4,6 58,2 34,8 80,2 86,6 86,8 13,O 6 2 3,O 53,6 89,9 86,O

Relative intensity 13,l 21,3 16,6 18,l 35,9 33,3 21,l 52,O 76,6 91,6 100,o 78,9 65,3 26,8 40,5 99,4 99,5 56,3 69,O 38,3 79,5 98,3 43,l 67,2 20,4 13,8 13,6 89,6 96,6 99,9 47,8 10,4 14,4

343

Phosphorous acid, tri(nony1-andlor dinonylphenyl) ester

p11400 2.596

2.396

2.296

2.1E6

2 .096

1.996

l.lE6

1.696

1.596

l.4E6

603

4 6 9


41 43 55 57 71 91 107 118 121 135

42.3 34.4 22.7 35.0 24.5 28.2 47.9 20.2 42.3

100.0

149 469 470 603 604 617 618 63 1 632 645

46.6 53.4 18.4 77.9 34.4 67.5 30.7 44.8 20.2 19.6




100 -

8 0 -

60 -

4 0 -

2 0 -

43

I 50 100

57 619 8 4 g ? I 1,

MJZ

41 55 77 91 107 121 135

Degradation product

Ion Intensity (%)

13.2 8.3 6.7 7.9

49.1 40.7

100.0

149

1 4 7

150 200

MIZ Ion Intensity ( W )

149 38.9 163 10.8 177 4.7 191 5.5 220 6.5 22 1 1.9



Scan Range : 40-700

346

Phthalic acid, benzyl butyl ester

CAS No. - 00085-68-7 PM Ref. No. - 74560 Restrictions - SML = 6.0 mg/kg Formula - C19H2004 Molecular weight - 312

Alternative names - Benzylbutyl phthalate

Physical Characteristics - Colourless liquid, mp -35°C bp 370°C. - Soluble in most organic solvents.





- Plasticizer, lubricant, carrier. - PVC, PVDC, styrene co-polymers, inks.


347

..

348

CAS NO. 00085-68-7

PHTHALIC ACID, BENNL BUTYL ESTER

Peak w aven urn be I 416.7 432.1 698.3 742.7 1039.8 1070.6 1122.7 1284.8 1377.3 1456.4 1489.2 1498.9 1599.2 1726.5 2874.3 2934.1 2959.2

% T 87.9 94.0 66.2 57.2 84.4 49.5 42.0 21 .l 79.7 75.1 88.4 85.1 87.1 21 .o 80.7 74.5 66.4

PM Ref. No. 74560

qelative intensity 15.3 7.6 42.8 54.1 19.8 63.9 73.4 99.9 25.7 31.5 14.7 18.8 16.4 100.0 24.4 32.2 42.6

349

Phthalic acid, benzyl butyl ester

9

20 - 67 lp4

- 4 1 1?3 206 7 76,

77

238 3 l& l " ~ ~ ~ " " l " ' " ' ~ " " ' ~ " " ' 1 ~ ' " " ' ~ ~ I ~ " ' ~ ' ' " I " '

50 100 150 200 250 300


41 65 76 77 91 104 105 122 131

12.9 17.8 12.4 8.7

75.4 17.5 11.3 8.4

132 133 135 149 150 206 238 312 1 1 1

10.8 2.5 6.1

100.0 11.6 14.2 1.3 0.8 n i



Scan Range 40-500

350

4

35 1


Alternative names

Phthalic acid, bis(2-ethylhexyl) ester

0 I 1

C2H5 I

mc- C-O-CH2-CH-C4Hg

C-O-CH2-CH-C4Hg

0 I1 I

- 00117-81-7 - 74640 - SML = 3.0 mg/kg - C,H,*O, - 390

- Dioctyl phthalate, Di(2-ethylhexyl) phthalate

Physical Characteristics - Light coloured liquid, mp -5O"C, bp 384°C. - Soluble in most organic solvents.





- Plasticizer, lubricant, carrier, release agent. - PVC, PVDC, styrene co-polymers, inks.


352

I

0 0 0 8 0 0 0 0 0 0 0 0

i

0 0 0

0 -

i

- g 'g 0 w

0

0 N

9

7 7

0

0 9

m v

0

0 rD Ln N

9

0

0

N m

9 m

0 0

..

..

CAS NO. 00117-81-7

353

PM Ref. No. 74640

PHTHALIC ACID, BIS(2-ETHYLHEXYL) ESTER

Peak wavenumbei 414.8 437.9 447.5 652.0 706.0 742.7 958.7 1039.8 1072.6 1122.7 1275.1 1381.2 1464.2 1581.8 1601.1 1730.4 2862.7 2932.2 2961 .I 3427.9

Yo T 87.5 94.3 93.6 86.6 68.3 46.5 76.9 68.3 29.1 23.6 11.2 60.2 45.8 77.5 79.6 10.6 36.7 19.88 18.50 90.61

qelative intensity 14.0 6.4 7.2 15.0 35.5 59.8 25.9 35.5 79.4 85.5 99.3 44.5 60.7 25.1 22.8 100.0 70.8 89.6 91.2 10.5

354

1

11 I

Phthalic acid, bis(2-ethylhexyl) ester

~ x 2 0 0 . 0 0 , PMl4 640

219

1.2E6

1.1E6

1.1E6

9.9E5

9.3E5

B.lE5

8.1E5

7.515

6 . BE5

6.2E5

5.6E5

S.OE5

4.335

3.135

3.1E.5

2.5E5

1.9E5

1.2E5

6.2E4

0. OEO MI

MIZ

41 43 55 56 57 69 70 71

Ion Intensity (%)

6.4 20.2 14.6 8.0

35.9 5.7

17.5 22.2

MIZ

83 112 113 149 150 167 279




Ion Intensity (%)

7.9 11.8 15.6

100.0 13.0 52.9 18.2

355

c

I

356

Phthalic acid, dibutyl ester

0 II


Alternative names




GC Retention time

00084-74-2 74880 SML = 3.0 mg/kg

278 CI6H22O4

Dibutyl phthalate

Colourless liquid, mp -35"C, bp 340°C. Soluble in alcohol, ether, benzene.



Plasticizer PVC .

36.7 min.

357

0 0

0 -r m -

0 0

0 ro In N

' 0

0 m N m

9

0 0

358

CAS NO. 00084-74-2

PHTHALIC ACID, DIBUTYL ESTER


445.6 467.1 704.1

746.5

943.3

1018.5

1039.8

1074.5 1099.6

1 122.7 1288.6

1340.7

1385.1

1450.7

1466.1

1726.5

2876.2

2937.9

2961.9

% T 69.0

80.5

93.9 82.0

61.8

82.6

84.4

79.3

35.6

74.2

36.2

13.5

78.8

75.8 75.1

70.0

12.9

65.1

56.3

41.5

87.2

PM Ref. No. 74880

tELATIVE INTENSITY

35.6

22.4

14.7

7.0 20.7

43.9

20.0

17.9

23.8

73.9

29.6

73.2

99.3

24.3

27.8 28.6

34.4 100.0

40.1

50.2

67.2

359

100 -

80 -

60 -

4 0 -

20 -

Phthalic acid, dibutyl ester

5 5

65 ' 93 1 12 1

123 7 1 T

M/Z

I t , ,

1

/ I , , , , , , , , I , I ,

56

I 7 6 104

160 1_67

278 1

41 56 57 65 76 77 93

Ion Intensity (%)

34.7 16.2 16.0 11.6 13.0 3.7 8.5

5 0

223 I

,pi 1


104 12.1 105 6.0 149 100.0 150 25.4 205 16.1 223 20.7 278 3.2



Scan Range 40-300

361


Alternative names




GC Retention time

Phthalic acid, dicyclohexyl ester

- 00084-61-7 - 74960 - SML = 6.0 mg/kg - C*oH,O, - 330.43

- Dicyclohexyl phthalate

- White powder, mp 63 - 65"C,

- Soluble in most organic solvents. bp 220 - 230°C.


- Standard sample was supplied


- 46.3 min.

362

0 0 0

m z 0 0 0

d m

3 " 'E g o 0

0

0 9

2 c

0 0

0 p'

E

0

0 L n m N

9

0

0

N m

9 m

0 0

0 0 0

0 - 0 0

0

8 ..

CAS NO. 00084-61-7

PHTHALIC ACID, DICYCLOHEXYLESTER

Peak wavenumber 410.9 449.5 476.5 490.0 549.8 594.2 648.2 692.5 71 1 .8 740.8 794.8 804.4 827.6 839.1 858.4 891.2 916.3 943.3 958.7 987.7 1010.8 1039.8 1076.4 1126.6 1142.0 11 57.4 11 96.0 1246.2 1257.7 1267.4 1294.4 1360.0 1373.5 1446.8 1468.0 1487.3 1579.9 1599.2 1632.0 1713.0 1944.5 1973.4 2662.1 2860.8 2937.9 2976.5 3074.9 3416.4

% T 79.8 86.6 58.6 79.9 66.5 77.4 61.4 66.1 71.8 13.8 42.5 60.1 67.3 54.0 62.3 48.1 22.3 33.5

66.6 59.1 15.9 28.6 13.6 5.0 17.9 40.4 60.0 14.7 7.8 9.0 2.0

33.7 35.4 23.4 50.2

43.5 52.9 49.0 84.5 5.3 89.3 90.8 88.8 17.1 7.8

47.5 84.1 79.2

ielative intensity 20.6 13.7 42.2 20.5 34.2 23.1 39.4 34.6 28.8 87.9 58.7 40.7 33.4 46.9 38.5 52.9 79.3 67.8 34.1 41.7 85.8 72.8 88.1 96.9 83.7 60.8 40.8 87.0 94.0 92.8 100.0 67.6 65.9 78.1 50.8 57.6 48.0 52.0 15.8 96.6 10.9 9.4 11.4 84.6 94.0 53.8 16.2 21.2

363

PM Ref. No. 74960

3 64

Phthalic acid, dicyclohexyl ester

MIZ Ion Intensity (%) M/Z Ion Intensity ( W )

41 16.9 55 25.3 67 7.2 77 1.6 104 5.1



Scan Range 25-450

149 100.0 150 14.1 167 35.1 249 9.0

00084-61 -7 PHTHALIC ACID, DICYCLOHEXYL ESTER 16384

SW 3125 NS 72

, , -7-

8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0

366


Alternative names




GC Retention time

Phthalic acid, diethyl ester

0 II

0

- 00084-66-2 - 75120 - SML = 12 mg/kg - C,*H,4O4 - 222

- Diethyl phthalate

- Colourless liquid, mp -4O"C, bp 298°C. - Soluble in most organic solvents.




- 29.1 min.

367

0 0 0

In

51

0

8 0 o\

- 9 'g 0 0 Q

0

0 N

9 -

0 C

0 P co

0 0

0 \o In N

0 0

0

m 3

0 0

0 0

0 s 8 0 m

1

e s U c?

368

CAS NO. 00084-66-2 PM Ref. No. 75120

PHTHALIC ACID, DIETHYL ESTER

Peak wavenumber 41 8.6

744.6 1016.6 1041.7 1072.6 1126.6 1 174.8 1286.7 1367.7 1448.7 1726.5 2984.2

% T 63.5 75.8 84.4 81.0 63.7 63.6 88.3 37.8 77.5 88.5 37.5 85.0

Relative intensit

30.4

58.2 I

18.7 99.5

36.0 18.4 100.0 24.0

369

1 0 0 -

8 0 -

60 -

40 -

20 -

.

Phthalic acid, diethyl ester

1

105

50 65, 76, 93, ' 12; 1 3 2 151 I 1 , 9 L 9 4 1_07 1, I 1 3 5 1 ~ ~ " ' ' " ' 1 " ' " ~ ' ~ ' .

5 0 1 0 0


50 2.0 65 4.8 76 5.1 93 5.5 105 6.6 149 100.0

177

, ;64 , Ip', ;94 I , , y;,, ) 200


150 11.6 176 10.8 177 30.3 178 6.1 222 4.6 223 0.6



Scan Range : 40-500

w -4 0

PHTHALJC ACID, DIETHYL ESTER

r-

371


Alternative names


Handling

Availability Safetv


GC Retention time

Phthalic acid, diisobutyl ester

0 It

CH3 I

C-O-CH2-CH -CH3

C-O-CH2-CH-CH3 a' II I 0 CH3

- 00084-69-5 - 75280 - SML = 3.0 mglkg - C,,HZZO, - 278

- Diisobutyl phthalate

- Colourless liquid, mp -5O"C, bp 295 - 298°C. - Soluble in most organic solvents.




- 35.2 min.

372

0 0 0

ul 0 c

I I I I I I I I

0 0 0

m m

0 0 0

h m

0 0 0

7 w h ln

0

a3ueql:osueJl

- 0 g 'g w

0

0 N

9

? 7

0

0 d

9

z

0 0

0 \o ul N

0 0

0

N m m

0 0

0 0 0

o w 0 0

0 N

_ - Y ..

CAS NO. 00084-69-5

PHTHALIC ACID, DIISOBUTYL ESTER

Peak w aven u m be, 652.0 706.0 744.6 947.2 981.9 1039.8 1072.6 1122.7 1286.7 1342.6 1377.3 1394.7 1469.9 1581.8 1601.1 1726.5 2876.2 2963.0

% T 90.2 82.2 69.7 87.8 76.1 86.4 51.3 48.4 28.4 87.5 75.8 87.7 74.1 88.4 87.7 24.2 78.2 57.99

373

PM Ref. No. 75280


374

Phthalic acid, diisobutyl ester

20 4 5 1

12,l 1132

50 100 1

2 22

I , , , , , 215 , 1 p 4

16.1

I " ' , ' * 200 250

MIZ Ion Intensity (%) M/Z Ion Intensity (%)

41 43 56 57 65 76 77 93 104

11.8 3.3 4.7

17.5 2.8 5.6 1.4 2.2 7.4

105 121 149 150 167 205 223 224

2.0 1.9

100.0 8.6 3.4 2.5 7.4 0.8



Scan Range : 40-500

376

Phthalic acid, diisodecyl ester

0

0

CAS No. - 26761-40-0 PM Ref. No. - 75360 Restrictions - Re-examined Formula - C28H4604 Molecular weight - 446

Alternative names - Diisodecyl phthalate

Physical Characteristics - Colourless liquid, mp -5O"C, bp 450°C. - Soluble in most organic solvents.






GC Retention time - Cluster 48.3 - 54.3 min.

377

0 0 0

Ln 0 -

0 0 0

ro m

- ? 'E 8 0 v

0 0

0 N

7 F

0 0

0 1T

m

0 0

0 ro l J l N

0 0

0

cu m m

0

9 0 0 0

o w . 0 0

0 c

378

CAS NO. 26761-40-0

PHTHALIC ACID, DllSODECYL ESTER

Peak wavenumbe 414.8 428.3 542.1 565.2 706.0 742.7 966.5 1039.8 1072.6 1122.7 1286.7 1381.2 1466.1 1581.8 1601.1 1728.4 2874.3 2930.2 2959.2

% T 87.4 88.8 94.4 92.7 75.4 54.0 79.4 73.7 39.4 29.9 13.9 58.5 49.1 83.3 84.0 13.3 37.4 24.91 16.89

PM Ref. No. 75360

3elative intensity 14.6 12.9 6.5 8.5 28.4 53.0 23.7 30.3 69.9 80.9 99.3 47.9 58.6 19.3 18.4 100.0 72.2 86.6 95.8

379

PM75360 *r100*

307

446

Phthalic acid, diisodecyl ester

1,3E6

1.2E6

1.2E6

1.1E6

1.OE6

9. BE5

9.1E5

8.5E5

7 . BE5

7.2E5

6 S E 5

5.9E5

5.2E5

4.6E5

3.9E5

3.315

2.6E5

2.0E5

1.3E5

95

90

85

80

15

1 0

65

60

55

50

45

40

35

30

25

20

15

10

5

0

5 1 I

50 d 1 5 0

MiZ

43 55 56 57 69 70 71 83 84 85

Ion Intensity (%)

44.1 26.1 10.1 51.4 23.8 18.9 46.2 14.5 11.3 42.0

MIZ

97 99 104 111 141 149 150 167 307 308

Ion Intensity (%)

8.9 8.1 5.1 6.6

22.6 100.0 11.8 40.1 32.8 6.7




381


Phthalic acid, diisononyl ester

0 II

0

- 28533-12-0 - 75440 - Re-examined - C26H4204 - 418

Alternative names - Diisononyl phthalate

Physical Characteristics - Colourless liquid, mp -48°C. - Soluble in most organic solvents.





- Plasticizer - PVC.

GC Retention time - Cluster 47.9 - 52.1 min.

382

c- r

-

c

-

> -

? I 1 I I I I I I I

0 0 0 0 0 0 0 0 8 0 0

0 0 0

0 -

- 0 '

g E 9.

a 0

0

2 7

0

0 9 w m -

0 0

0 Ln In N

0 0

0 m N m

0 0

.. 1

3 p!

E

CAS NO. 28533-12-0

PHTHALIC ACID, DIISONONYL ESTER

Peak wavenumbe 410.9 441.8 536.3 706.0 742.7 966.5 1039.8 1074.5 1124.6 1286.7 1367.7 1383.1 1466.1 1581.8 1601.1 1728.4 2874.3 2928.3 2959.2

% T 89.8 90.5 94.4 76.0 52.7 78.7 73.3 37.8 27.8 11.6 68.2 57.4 48.6 82.4 83.6 11.9 40.1 26.63 16.35

383

PM Ref. No. 75440

qelative intensity 11.6 10.8 6.3 27.1 53.6 24.1 30.2 70.4 81.8 100.0 36.0 48.2 58.2 19.9 18.6 99.7 67.8 83.0 94.7

384

30 w I 0 1 0 1 0 120 J ~ / 180 " ' 2 b O " ' 2 1 0 " ' 240 " ' 2 k O 'rbL! 280 360 > , , 3hO " ' 340 " " " " 380 3 b O " ' 460 ' , L , , ' , 4hO 44C

85 I li'

95

90

85

80

75

70

65

60

55

50

45

40

35

30

25

20

15

10

5

0 40 -

I g 7 I

Phthalic acid, diisononyl ester

~ x 1 0 0 . 0 0 ~ PM75440

167

1.5E6

1.4E6

1.3E6

1.3E6

1.2E6

1.1E6

l.OE6

9.6E5

8.9E5

8.1E5

7.4E5

6.735

5.9E5

5.2E5

4.4E5

3.7E5

3.OE5

2.2E5

1. SES

7.4E4

O.OEO M/ -

MJZ

43 55 56 57 69 70 71 83 84

Ion Intensity (%)

30.5 18.6 9.5

43.9 12.4 10.7 35.4 9.2 6.1

MJZ

85 97 126 127 149 150 167 279

Ion Intensity (%)

17.8 5.8 5.2

22.9 100.0 11.2 20.3 23.2




386

Phthalic acid, diisooctyl ester

0

CAS No. - 27554-26-3 PM Ref. No. - 75520 Restrictions - SML = 3.0 mg/kg Formula - C24H3804 Molecular weight - 390

Alternative names




GC Retention time

- Diisooctyl phthalate

- Colourless liquid, mp -43"C, bp 370°C. - Soluble in most organic solvents.




- Cluster 45.6 - 50.2 min.

387

0 0 0

y7 0 7

0 0 0

w m

0 0 0

N

0 0 0

N w

0 0 0

m u3 7

a3ueqqrmsueJl %

- :: '8 0 w

0 0

0

N -

0 0

0 w m 7

0 0

0 L n y7 N

0 0

0

N m m

0 0

0 0 0

0 - 0 0

0

..

3

388

CAS NO. 27554-26-3 PM Ref. No. 75520

PHTHALIC ACID, DIISOOCTYL ESTER

Peak wavenumbei 414.8 459.1 706.0 742.7 964.5 1039.8 1074.5 1124.6 1286.7 1367.7 1385.1 1466.1 1581.8 1601.1 1730.4 2874.3 2932.2 2959.2

% T 86.1 93.1 72.4 46.5 70.5 63.4 27.9 19.0 6.9 63.5 52.5 43.8 80.3 81 .l 8.2 34.7 23.8 13.03

qelative intensity 14.9 7.4

29.7 57.5 31.6 39.3 77.4 87.0 100.0 39.3 51 .O 60.4 21.1 20.4 98.6 70.2 81.9 93.4

389

00

95

90

85

80

75

70

65

60

55

50

45

40

35

30

25

20

15

10

5

0 40

MIZ

41 43 55 56 57 69 70 71

1

Phthalic acid, diisooctyl ester

PM75520 r x 1 0 0 . 0 0 ,

'T' 390 I

1.3E6

1.2E6

1.1E6

1.1E6

1.OE6

9.6E5

8.9E5

8.3E5

7.7E5

7.OE5

6.4E5

5.7E5

5.1E5

4. 5E5

3 . BE5

3.235

2.6E5

1.9E5

1.3E5

6.4E4

0. OEO

Ion Intensity (%) MIZ

8.81 23.7 18.7 11.4 68.3 17.8 14.5 42.3

83 84 112 113 149 150 167 279




Ion Intensity (%)

8.9 7.3 6.3

25.9 100.0

9.7 17.7 16.7

W \D 0

27554-26-3 PHTHALJC ACID, DIISOOCTYL ES 1-t 16384

39 1


Alternative names


Handling

Availability safetv


GC Retention time

Phthalic acid, dimethyl ester

0 II

0

- 00131-11-3 - 75600 - SML = 3.0 mg/kg - C,OHIOO, - 194

- Dimethyl phthalate

- Oily liquid, mp 2"C, bp 282°C. - Soluble in most organic solvents.


- Plasticizer, carrier. - PVC.

- 25.7 min.

392

0 0 0

m 0

0 0 0

w m

8 0 0

m N ro w

0

N

0

8 0

c

a w q J r w s u e J l x

- x ,g 0 v

s 0 $t -

0 0

0 %,

m

0 0

0 a m N

0 0

0

(u m m

0 0

0 0

0 0

0

3 - 3

.. 2 Y U

k a ..

CAS NO. 00131-11-3

393

PM Ref. No. 75600

PHTHALIC ACID, DIMETHYL ESTER

Peak wavenumber 412.8 434.0 445.6 466.8 480.3 559.4 652.0 706.0 746.5 817.9 843.0 958.7 1039.8 1076.4 1124.6 1 192.2 1292.5 1435.2 1489.2 1579.9 1601.1 1730.4 2903.2 2955.3 3003.5

% T 80.1 90.4 89.4 90.0 91.2 87.3 85.2 65.7 34.9 73.9 83.8 61.8 65.5 24.8 21.8 62.0 5.1

32.1 73.4 74.6 75.1 6.4 91.2 62.6 80.9

Relative intensity 21 .o 10.1 11.2 10.5 9.3 13.4 15.6 36.1 68.6 27.5 17.1 40.2 36.3 79.2 82.3 40.0 99.9 71.5 28.0 26.7 26.2 98.6 9.3 39.4 20.1

394

100

80

60

4 0

2 0

I

i 77i

I;/

Phthalic acid, dimethyl ester

9Zi

5b 7 5 1 0 0 1 5 0

MIZ Ion Intensity (%) MJZ

50 51 63 64 74 75 76 77 78 91


24.6 6.4 4.9 4.8

14.3 10.9 30.4 39.4 3.1 3.4


92 104 105 120 133 135 163 164 194 195

1 9 4

I 4 5 , , , 179, , , , ,I;

1 7 5

Ion Intensity (%)

27.8 15.0 9.5 4.4

11.5 6.5

100.0 9.3 5.8 0.7

396

Pol ydimethylsiloxane


Alternative names




- 09016-00-6 and 61348-62-9 - 76720 - None

- Approx. 12500

- Dimethicone

- Colourless viscous liquid, mp approx. -34°C. - Soluble in toluene, chloroform, ether.



- Lubricant. - PS, PVC, PE, PP.

GC Retention time

105.000 ,

t 84.000

- E

42.000 +-

0.000 I I I I

2560.00 1840.00 1120.00 400.0 4000.00 3280,OO

cm"

Name : POLYDIMETHYLSILOXANE

PM Nr :76720 CAS Nr : 09016-00-6 6 1348-62-9 KBr pellet

w \o 4

398

CAS NO. 09016-00-6 and 61348-62-9

POLY DI M ETHY LSILOXANE

Peak wavenumbei 661.7

686.7

800.6 864.2 1020.5

1097.6 2965.0

Yo T 86.3

83.3

9.4 60.3

10.2 11.9 49.7

PM Ref. No. 76720

ielative intensity 15.1 18.4

100.0 43.8

99.1 97.2 55.5

399

Pol ydirnethylsiloxane

%age

90

80

70

50

50

40

30

20

10

0

0 100

295

I

300

111 400

502


43 45 55 57 70 73 147 207 22 1 222

29.3 26.7 23.3 20.0 21.3 73.3 44.7 24.0

100.0 24.0

M I Z

28 1 295 354 355 368 428 429 430 502 503

Ion Intensity (%)

44.0 58.7 78.0 29.3 50.0 70.0 31.3 20.7 43.3 22.0


P 0 0

[E) ("") Name 09016-00-6 POLYDIMETHYLSILOXANE 63148-62-9 16384

SW 6494

Y

8.5 8 .0 7 .5 7.0 6.5 6 . 0 5 . 5 5 . 0 4.5 4.0 3 . 5 3.0 2.5 2 . 0 1.5 1.0 0.5 0.0

(PPm)

Polyethyleneglycol ether of tallow fatty alcohol

CAS No. - 61791-28-4 PM Ref. No. - 77760 Restrictions - None Formula Molecular weight - 10 units ethylene oxide (n= 10)

Alternative names

Physical Characteristics - Off white past, mp >3OoC. - Soluble in most organic solvents.



GC Retention time



- Lubricant, emulsifier, antistatic agent. - PVA, PTFE, polyolefins.

P 0 h,

Y

105 000

86,000

67,000 0)

c

Y Y .A

E

; 48 000 + x

29,000

10.000

3280.00 2560 00 1840.00 l12OI0O 400 0 4000.00 cm'

Name : POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY ALCOHOL

PM Nr : 77760 CAS Nr : 61791-28-4 KBr pellet

CAS NO. 61791-28-4

403

PM Ref. No. 77760

POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY ALCOHOL

Peak wave n u m be I 412.8 424.4 580.6 723.4 843.0 951 .O 1047.5 1115.0 1282.8 1346.5 1468.0 2855.0 2920.6 3285.2 3343.0 3377.8

O/o T 82.2 88.2 94.9 92.9 82.3 79.3 78.0 15.6 77.7 66.0 64.6 24.2 19.7 86.9 81.4 78.9

qelative intensity 21.1 14.0 6.1 8.5 21 .o 24.5 26.0 100.0 26.5 40.3 41.9 89.9 95.2 15.6 22.1 25.0

404

'P

a?

Polyethyleneglycol ether of tallow fatty alcohol

%ape

90

80

70

50

5c

4C

3c

2c

1c

<

1?3

1

221 260 ' ' 9' 3?? 339 371 515 445 409 507 551

100 200 300 400 500 500 700 800 900 M i l

MIZ Ion Intensity (%) MJZ Ion Intensity (%)

41 43 45 55 57 59 69 71 72 73

16.7 36.0

100.0 31.3 42.0 18.0 30.7 29.3 17.3 21.3

82 83 85 87 88 89 96 97 133 177

25.3 28.7 18.7 32.0 18.0 90.0 19.3 22.7 51.3 18.0


POLYETHYLENEGLYCOLETHEROFTALLOWFARY ALCOHOL

SW 3125 NS 32

J-

406


Poly (ethylene prop ylene) glycol

H0-E-CH2-CH2-0 CH-CH2-0 CH2-CH2-OH LPH3

Alternative names




- 9003-11-6 - 79930 - None

- 8000 - 1 1000

- Poly(oxyethylene)poly(oxypropylene) block copolymer

- White flakes, mp 55 - 60°C. - Soluble in most organic solvents.

- Store at room temperature. - Low toxicity. - Standard sample was supplied.

- Lubricant. - PS, PVC, PE, PP

GC Retention time

105.000

90.000

75.000 al u

m Y Y ..-I E Y)

60.000 + x

45,000

30,000 I I I I

2560.00 1840.00 1120.00 400.0 4000.00 3280.00

Name : POLY(ETHYLENE PR0PYLENE)GLYCOL

PM Nr :79930 CAS Nr : 9003-1 1-6 KBr pellet

e s

408

CAS NO. 9003-11-6 PM Ref. No. 79930

Poly(ethy1ene propylene) glycol

Peak wavenumbei 418.6 843.0 447.2 962.6 1061 .O 1113.1 1149.7 1242.3 1280.9 1344.6 1360.0 1468.0 2743.1 2851.1 2891.7 291 6.7

% T 79.2 61.3 71.8 65.2 57.6 37.6 50.7 71.8 63.9 58.8 69.0 65.8 87.2 47.6 47.0 43.4

qelative intensity 33.3 62.0 45.2 55.8 67.9 100.0 79.0 45.2 57.9 66.0 49.7 54.8 20.5 84.0 84.9 90.7

409

Poly(ethy1ene propy1ene)glycol

I I 1 " ' ' 1 I ' " ' 3 ~ F-, --,7-.-,

0 900 M i l 100 200 300 400 500 600 700 BOO


41 42 43 44 45 57 58 59 71 72

20.0 11.3 40.0 23.3 99.3 24.0 21.3 66.0 16.7 21.3

MIZ

73 87 88 89 99 101 103 115 117 133

Ion Intensity (9%)

100.0 63.3 14.0 56.7 12.7 26.0 25.3 18.0 33.3 26.7

Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range 40-1000

[s;;. 1 r n o ) Name 9003-1 1-6 POLY(ETHYLENE PROPYLENEGLYCOL)

I--

16384 SW 6494 NS 24

I

8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0

(ppm)

41 1

Pol yolefins


Alternative names




- 68037-12-7 - 80550 - None - CnH(nc2) - 500 - 600

- Poly(decene- l) , hydrogenated

- Colourless liquid, mp approx -68°C.



- Release agent. - PS, PP, PE.

GC Retention time

W U

m Y - Y

x

105.000

t \ I 88.000

1 I V V Y

Name : POLY -a-OLEFINS

PM Nr :80550 CAS Nr : 68037-12-7 KBr pellet

CAS NO. 68037-12-7

413

Pm Ref. No. 80550

POLY -a-O LE F I NS

Peak wavenumbed % T 723.4

802.5 1022.4

1095.7

1261.6

1466.1 2855.0

2924.4

2959.2

90.9

75.8

77.9

78.8

79.0

70.6 40.6

23.2

43.9

Relative intensity 11.8 31.5

28.8

27.6

27.3 38.3

77.3 100.0

73.0

414

Polyolefins

80

70

60

60

40

30

20

10

0-,-.

0 -A T ' 1 ' " ' " I 600 700 BOO 900


43 55 57 69 71 83 85 97 99 111

38.0 18.0

100.0 20.6 86.0 21.3 66.0 20.7 30.7 14.7

MJZ

113 127 141 155 169 183 197 21 1 225 239

Ion Intensity (%)

24.7 18.0 16.7 16.0 15.3 14.0 13.3 12.7 12.7 12.7


- . Name POLY-a-OLEFMS

I

16384 SW 6494 NS 16

8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 , 2.0 , , , J , , 1.5 , Ju 1.0 0.5 0.0

( P P 4

416

CAS No. - 71878-19-8 PM Ref. No. - 81200 Restrictions

Molecular weight

- SML = 3.0 mg/kg

- 600 when n= 1 Formula - C,,H,,N, when n = 1

Alternative names

Physical Characteristics - Slightly yellow granules, mp 100 - 135°C. - Soluble in most organic solvents.





- Light stabilizer. - General use.

GC Retention time

105.000

84,000

63.000 W u

m Y Y .r(

E

5 42.000 c K

21.000

0.000 I I I I

4000.00 3280,OO 2560,OO 1840 .OO 1120 .oo 400.0 cm.'

Name : POLY [6-( 1,1,3,3,TETRAMETHYLBU?L)AMINO]-1,3,5-TRIAZINE-2,4-DIYL]-[(2,2,6,6- TETRAMETHYL-4-PIPERIDY L)IMINO]HEXAMETHYLENE[(2,2,6,6-TETRAMETHYL-4PIPERDY L) IMINO]


418

CAS NO. 71878-19-8 PM Ref. No. 81200

POLY[6-[(I ,I ,3,3TETRAMETHYLBUTYL)AMINO]-1,3,5-TRIAZINE- 2,4-DIYL]-[(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)lMlNO]

HEXAMETHYLENE[(2,2,6,6-TETRAMETYL-4-PIPERlDYL)lMlNO]

Peak wavenumbei 424.4 478.4 61 1.5 644.3 696.4 81 0.2 804.7 1014.7 1082.2 11 30.4 11 65.2 1203.7 1221.1 1240.4 1307.9 1365.8 1423.6 1483.4 1531.7 1570.3 1555.1 1701.4 2862.7 2932.2 2955.3 2325.7 3443.4 3856.2

% T 90.0 73.2 94.8 82.1 85.1 53.9 87.9 80.7 73.5 82.6 61.2 47.0 39.5 34.7 31.7 19.6 14.4 7.20 6.70 11.6 68.9 82.2 46.5 22.7 19.3 87.0 73.7 91.1

3e I at ive intensity 10.7 28.7 5.6 19.2 16.0 49.4 13.0 20.7 28.4 18.6 41.6 56.8 64.8 70.0 73.2 86.2 91.7 99.5 100.0 94.7 33.3 19.1 57.3 82.9 86.5 13.9 28.2 9.5

419

Poly[6-[( 1,1,3,3-tetramethylbutyl)amino]- 1,3,5-triazine-2,4-diyl]-[(2,2,6,6-tetra-

methyl-4-piperidyl)-imino] hexamethylene[(2,2,6,6-tetramethyl-4-piperidyl)imino]

124 1

I 88

I i

! I

460

I


41 42 43 55 57 58 69 83 98 124


33.4 27.1 35.3 39.7 39.6

100.0 20.8 16.6 41.5 62.6


: 70 eV : 350-400°C

: 25-1000

321 458 459 460 46 1 527 54 1 583 598 599

25.8 16.5 19.6 96.8 29.4 16.9 26.7 17.3 58.3 24.6

P h, 0

2,4-DIYL]-[(2,2,6,6-TETRAMETHYL-4-PIPENDYL)-IMINO] 250.13 HEXAMETHYLENE[(2,2,6,6-TETRAMETHYL-4-PIPE~D~)-IM~O]

SW 3125

42 1

Sebacic acid, bis(Zethylhexy1) ester

0 0 C~H~-CH-CH~-O-C-(CH+C-O-CH~-CH-C~H~ I / I I

8 C2H5 C2H5


Alternative names




GC Retention time

- 00122-62-3 - 85120 - SML = 3.0 mg/kg - C*,H,rJO, - 426

- Decanedioic acid, bis(2-ethylhexyl) ester Di(Zethylhexy1) sebacate

- Colourless liquid, mp -48"C,

- Soluble in alcohol, acetone, benzene, ether. bp 212°C (1 mm Hg).



- Plasticizer. - PVC, PVDC, coatings.

- 51.1 min.

105 000

86 000

67 000 W

C

Y Y 4

5 5 48 000 c

x

29.000

10 000

1840.00 11 20.00 400.0 4000 00 3280.00 2560.00 cm"

Name : SEBACIC ACID, BIS(2-ETHYLHEXYL) ESTER

PM Nr : 85120 CAS Nr : 00122-62-3

P w w

KBr pellet

CAS NO. 00122-62-3

423

PM Ref. No. 85120

SEBACl C ACID, BI S(2-ETHY L-H EXY L) ESTER

Peak wavenum ber 416,7 428,3 1097,6 1 130,4 1174,8 1240,4 1358,l 1381,2 141 9,8 1464,2 1738,l 2860,8 2930,2 2959,2

% T 74,5 70,5 85,7 78,8 44,7 63,2 81 ,O 75,8 86,7 60,2 18,4 42,9 22,5 30,8

Relative intensity 31,3 36,2 173 26,O 67,8 45,l 23,3 29,7 16,3 48,8 100,o 70,O 95,O 84,8

424

100

80

60

40

2 0

57 I

100

MIZ

43 55 56 57 69 70 71 83 84 97


Sebacic acid, bis(2-ethylhexyl) ester

3 1,5 203 291

255 3-68 316 426 I 1 1

' 2 0 8 / I

I ' ' " ' ' ' " I ~ ' ' ' ' " ~ ' I ' ~ L 200 300 400


48.9 49.7 19.5 87.0 23.8 64.5 45.0 21.9 13.9 16.1

: Finnigan Mat S S Q 700 : Capillary GCIMS : 180°C : 70 eV : 40-500

98 112 113 185 186 203 297 315 426

21.0 46.3 17.3

100.0 11.6 5.2 8.1

10.7 0.7

001 22-62-3 SEBACIC ACID, BIS (2-ETHYL-HEXYL) ESTER

$-

163 84

426

Sebacic acid, dibutyl ester


0 0

C4H9--O-C-@HafC-O-C4H9 I I I I

8

Alternative names




GC Retention time

- 00109-43-3 - 85360 - SML = 3.0 mg/kg - C,,H,404 - 314

- Dibutyl sebacate, Decanedioic acid dibutyl ester

- Colourless liquid, mp -1O"C, bp 344 - 345°C. - Soluble in ether, alcohol, acetone, benzene.




- 50.0 min.

1 0 5 , 0 0 0

89.000

73,000 a

c m CI Y .A E

5 57.000 + x

41 ,000

25.000

4000,OO 3280,OO 2560.00 1840.00 1 1 2 0 . 0 0 4 0 0 . 0

cm”

Name : SEBACIC ACID, DIBUTYL ESTER


428

CAS NO. 00109-43-3

SEBACIC ACID, DIBUTYL ESTER

Peak wavenumbei 409.0 474.6 499.6 51 1.2 951 .O 1024.3 1064.8 1097.6 I 130.4 11 74.8 1242.3 1356.1 1419.8 1466.1 1738.1 2858.9 2934.1 2959.2

Yo T 84.7 94.3 94.3 94.3 92.1 84.3 84.2 81.2 79.0 52.6 68.6 83.0 88.5 76.9 27.8 70.2 48.6 52.9

PM Ref. No. 85360

qelative intensity 21.1 7.9 7.9 7.9 11.0 21.8 21.9 26.0 29.0 65.6 43.4 23.5 15.9 32.0 100.0 41.2 71.1 65.2

429

100 -

80 -

60 -

40 -

.

Sebacic acid, dibutyl ester

41,

43 * I

98 125 143

5 0 100 150

M/Z

41 55 56 57 69 83 97 98 121

Ion Intensity (%)

56.4 45.3 49.0 36.6 21.3 16.1 25.1 25.4 10.7

2

/,;Jr,,, 215

200

M/Z

125 143 166 185 186 199 24 1 242

1

2 5 0 3 0 0

Ion Intensity (%)

23.5 25.9 16.9 71.6 10.0 21.3

100.0 15.6



Scan Range : 25-500

00 109-44-3 SEBACIC ACID, DIBUTYL. ESTER

r [-i 16384

43 1

Sorbitan monolaurate


Alternative names




H OH

- 01338-39-2 - 87600 - None - C,*H,,O, - 346

- Sorbitan monododecanoate

- Yellow liquid, solidification point approx. 19°C. - Soluble in 2-ethoxy ethanol, methanol, ethanol,

ether.



- Emulsifier. - General use.

GC Retention time

f h)

105.000

0 000 I I I I

4000 00 3280 00 2560.00 1840,OO 1120,oo 400 0 cm-'

Name : SORBITAN MONOLAURATE


CAS NO. 01338-39-2

SORBITAN MONOLAURATE

Peak wavenumbei 978.0 1012.8 1076.4 1 174.8 1379.3 1417.9 1468.0 1741.9 2855.0 2924.4 31 59.8 3296.8 3339.2

% T 93.3 86.3 61.1 66.4 77.5 80.6 64.2 34.5 26.3 11 .1

84.0 51.8 46.2

433

PM Ref. No. 87600

qelative intensity 7.5 15.4 43.8 37.8 25.3 21.8 40.3 73.7 82.9 100.0 18.0 54.2 60.5

434

%age _. 104

& MIZ

128

100

41 43 45 55 57 69 71 73 83 84


Sorbitan monolaurate


43.3 83.3 37.3 54.7

100.0 70.7 30.0 42.0 90.7 91.3


: 70 eV : 350-400°C

40-1000

85 86 97 98 103 110 111 128 129 183

66.0 29.3 39.3 30.0 25.3 35.3 21.3 75.3 28.7 50.7

[E)(CASn') Name 01 338-39-2 SORBITAN MONOLAURAE

16384 SW 2380 NS

436


Alternative names

7 7

1; CH~-O-C+CH~~CH=CH+CH~~CH~ I

HO-CH

I I H OH




Sorbitan monooleate

- 01338-43-8 - 87680 - None - C24H4406 - 428

- Sorbitan mono-9-octadenenoate

- Yellow liquid. - Soluble in 2-ethoxy ethanol, methanol, ethanol,

ether.



- Emulsifier - General use.

GC Retention time

105 000

84.000

63.000 a

c m Y Y .A

E

5 42.000 + x

21,000

0.000

4000.00 3280,OO 2560.00 1840.00 1120.00 400.0 cm- '

Name : SORBITAN MONOOLEATE


P W 4

438

CAS NO. 01338-43-8

SORBITAN MONOOLEATE

Peak wavenumbei 410.9 723.4 846.9 949.1

1 109.2 1250.0 1300.2 1350.3 1462.2 1738.1 2754.7 2860.8 2924.4 3238.9 3329.5

% T 83.2 93.6 83.1 67.0 9.7 56.0 62.9 57.1 61.1 51 .O 86.5 18.4 17.4 83.6 73.2

Pm Ref. No. 87680

qelative intensity 18.6 7.1 18.7 36.5 100.0 48.8 41.1 47.6 43.1 54.3 14.9 90.4 91.5 18.2 29.7

439

Sorbitan monooleate

%age

so

80

70

60

50

40

30

45

8.9

133

, I 1 -

100 200 300 400 500

M E Ion Intensity (%)

41 43 45 50 55 57 59 69 70 71

17.3 30.0

100.0 10.0 26.7 20.0 12.0 27.3 10.7 12.0

MIZ

73 81 83 84 87 89 97 98 99 133

Ion Intensity (%)

38.7 13.3 18.0 13.3 25.3 41.3 14.7 12.7 12.0 22.7

Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range 40-1000

[E) [-I 01338-43-8

44 1


Alternative names




Sorbitan monostearate

HO-CH

H

H OH

- 01338-41-6 - 87840 - None - C24H4606

- 430

- Sorbitan monooctadecanoate

- Pale waxy beads, mp 56 - 58°C. - Soluble in 2-ethoxy ethanol, methanol, ethanol,

ether.

- Store at room temperature. - Low toxicity. - Standard sample supplied.

- Emulsifier. - General use.

GC Retention time

105.000

a4 ooo

63 000 aJ 0 c m Y CI 3 E

5 42 000 c x

21 000

0 000

4000.00 32a0.00 2560.00 1 a40.00 1120 . oo 400.0 ern- '

Name : SORBITAN MONOSTEARATE


CAS NO. 01338-41-6

SORBITAN MONOSTEARATE

Peak wavenumbei 611.5 721.5 781.3 887.4 922.1 983.8 1064.8 1 178.7 1 197.9 1221.1 1244.2 1379.3 1417.9 1468.0 1738.1 2851.1 2916.7 3308.3

% T 93.4 60.2 86.4 84.9 92.1 77.8 42.9 31.4 38.2 46.7 50.3 54.4 56.1 30.3 18.5 4.8 3.0

37.67

443

PM Ref. No. 87840

qelative intensity 6.8

41 .O 14.0 15.6 8.1 22.9 58.9 70.7 63.7 55.0 51.2 47.0 45.2 71.8 83.9 98.1 100.0 64.2

444

Sorbitan monostearate

90

80

70

60

50

40

30 :I 0

0 100 200 300 400 500 600 700


41 43 45 55 57 69 71 73 83 84

33.3 86.7 70.0 58.0 94.0

100.0 56.0 70.7 40.0 25.3

MIZ

85 87 89 97 98 99 111 128 129 239

Ion Intensity (%)

70.0 36.0 34.7 48.0 62.0 30.7 34.0 95.3 45.3 33.3


SORBITAN MONOSTEARATE

P R

446

Stearamide


Alternative names



Current uses

Applications

GC Retention time

- Note

- 00124-26-5 - 88960 - None - C,,H37NO - 283

- Octadecanoic acid, amide

- Slightly yellow cristalline powder, mp 109"C,

- Soluble in most organic solvents. bp 250 - 251°C.



- Antistatic agent, anti- slipping and blocking

- Polyolefins. agent.

- 44.5 min.

- Stearamide contains palmitamide.

105.000

W

c

Y Y d

E

c L

b-

x

84.000

63 .000

42,000

21.000

t- o 000

I I I I

4000 00 3280.00 2560.00 1840.00 1120.00 400,O

cm"

Name : STEARAMIDE


P P 4

448

CAS NO. 00124-26-5

434.0 441.8 524.7 549.8 650.1 71 9.5 800.6 1120.8 1188.3 1207.6 1228.8 1286.7 1306.0 1323.3 1377.3 1421.7 1469.9 1643.6 2849.2 2918.7 3194.5 3316.0 3393.2

PM Ref. No. 88960

STEARAMIDE

90.8 88.4 85.9 78.7 39.7 52.9 74.7 65.1 67.7 68.9 68.9 72.5 69.2 69.4 75.6 25.0 21.5 7.0 5.8

4.0 30.9 62.0 16.8

qelative intensity 9.6 12.1 14.7 22.2 62.9 49.1 26.3 36.4 33.6 32.4 32.4 28.7 32.1 31.9 25.4 78.2 81.9 96.9 98.2 100.0 72.0 39.6 86.7

449

59 100 7

80 -

60 -

4? 40 -

41

- 1 55 20 - 1

2 9

J , , i , l , 50

Stearamide

69 1

I , ~ , , I

I

I l l , , ,I1 9 L 1

2

1pZ 1156 ;70 184 98 212 ' 2514 2 6 6 I l l r I I


10.2 21.3 36.2 11.6 17.5 15.3

100.0


60 18.3 72 64.9 128 8.9 240 3.9 283 4.3 284 0.7


R 0

00124-26-5 STEARAMIDE

I

16384

/-

45 1

Stearic acid, butyl ester


Alternative names


C H ~ ~ C H ~ ~ C - O - C ~ H ~ II

16



GC Retention time

- Note

- 00123-95-5 - 89120 - None - CzzH44O2 - 340

- Butyl stearate, Octadecanoic acid, butyl ester

- Colourless liquid, mp 16"C, bp 223°C. - Soluble in alcohol, ether, acetone.




- 44.9 min.

- Contains Palmatic acid, butyl ester.

105.000

87.000

69 000

x

33.000

15.000 I I

3280 00 2560 00

I I

1840 00 1120.00 400.0 4000.00

cm”

Name : STEARIC ACID, BUTYL ESTER


CAS NO. 00123-95-5

STEARIC ACID,BUTYL ESTER

453

PM Ref. No. 89120


526.6

534.4

544.0 551.7

561.4

571 .O 1172.9

1379.3

1468.0

1741.9

2855.0 2926.4

% T 94.8

94.6

94.7

94.4 94.4 94.6

94.1 94.2

75.8

84.3

73.1

43.9

41.8

22.2


6.9 6.8

7.2

7.2

6.9

7.6 7.5

31 .I 20.2

34.6

72.1

100.0

74.8

454

100 -

80 -

60 -

.

40 -

Stearic acid, butyl ester

56

4 3 ?

28;

2 o L 50


41 42 43 55 56 57 70 71 115 129


26.9 8.1

42.6 28.2

100.0 93.4 5.8

14.9 7.1 8.4


171 185 199 24 1 267 284 285 286 340 34 1

3.8 6.6 1.9 6.9

23.4 24.0 32.7 8.0 5.8 1.7

[ E ) ( r ) Name 00 123-95-5 STEARIC ACID, BUTYL ESTER

I

16384 SW 6494 NS I .

Y I

456


Stearic acid, esters with pentaerythritol

L 4

- 08045-34-9 and 001 15-83-3 - 89520 - None

- 1202 - C77H,4808

Alternative names - Pentaerythritolstearate

Physical Characteristics - White crystalline powder, mp approx. 60 "C,

- Soluble in dichloromethane, chloroform, ether, bp approx. 280°C.

toluene, hexane.





- Release agent. - General use.

GC Retention time

105 000

8 1 000

63 000 OI " c

Y Y 3 E

4 2 000 c

x

21.000

0 DUO

3280 00 2560 00 1840 00 1120 00 400 0 4000 00

Name : STEARIC ACID, ESTERS WITH PENTAERYTHRITOL

PM N r : 89520 CAS Nr : 08045-34-9 KBr pellet

R 4

458

CAS NO. 08045-34-9 and 001 15-83-3 PM Ref. No. 89520

STEARIC ACID, ESTERS WITH PENTAERYTHRITOL


71 9.5 877.7

889.3

985.7

101 8.5

1062.9 11 05.4

1174.8

1197.9

1219.2

1236.5 1361.9

1396.6

141 5.9

1471.9

1738.1

2851 .I 2916.7

% T 94.4 89.5

49.6

86.5

83.3

68.8 60.6

62.2

42.2

28.1

33.2 39.4

40.7 47.4 51.6

54.1

30.0

19.8

13.0

8.4


11.5

55.0 14.7 18.2

34.1 43.0

41.3

63.1

78.5 72.9

66.2

64.7

57.4 52.8

50.1 76.4

87.6

95.0

100.0

(z)(C*Tnl) Name 08045-34-9 STEARIC ACID, ESTERS WITH PENTAERYTNTOL

\

Solvent CDCL3 SF 250.13 s1 16384 SW 6494 NS 50

u

8 5 8 0 7 5 7 0 6 5 6 0 5 5 5 0 4 5 4 0 3 5 3 0 2 5 2 0 1 5 1 0 0 5 0 0

(PPm)

460

Stearoylbenzoylmethane

0

16

CAS No. - 58446-52-9 PM Ref. No. - 90720 Restrictions - None Formula - CZ6H4ZOZ Molecular weight - 386

Alternative names




GC Retention time

- 1 -Benzoyl-2-keto-nonadecane

- White powder, mp 56 - 61"C,




- Stabilizer. - PVC, PVDC.

- 54.7 min.

m e - Contains also laurylbenzoylmethane.

105.000 n

87 000 m

15.000 I I I I

3280 00 2560.00 1840 00 1120 00 400 0 4000 00

Name : STEAROYLBENZOYLMETHANE

PM Nr : 90720 CAS Nr : 58446-52-9

cm-'

KBr pellet P s

462

CAS NO. 58446-52-9

STEAROYLBENZOY LMETHANE

Peak wavenumbei 420.5 729.2 762.0 771.6 1464.2 1473.8 1493.1 1547.1 1576.0 1626.2 2849.2 2916.7

2955.3

% T 66.5 88.2 78.8 81.7 70.6 73.9 82.8 86.0 82.0 67.9 30.2 19.8

71.6

PM Ref. No. 90720

qelative intensity 41.8 14.6 26.4 22.8 36.6 32.6 21.4 17.5 22.4 40.1 87.0

100.0 35.4

463

I , . I r

Stearoy lbenzoy lmethane


41 11.2 147 43 20.9 161 55 11.8 162 69 29.2 163 77 9.15 175 105 83.0 368 120 11.1 386

Ion Intensity (%)

32.3 16.1

100.0 11.0 6.6 3.7 2.2



Scan Range : 25-500

[=)[-) Name 58446-52-9 STEAROYLBENZOY LMETHANE

P Q\ P g-j 16384

465

Sulphosuccinic acid, bis(2-ethylhexyl)ester, sodium salt


Alternative names




- 00577-11-7 - 91572 - None - C,H,,NaO,S - 444

- Docusate sodium

- Yellow liquid, mp < O'C, bp 360°C. - Soluble in most organic solvents.

- Store at room temperature. - Irritant. - Preparation in alcoholic solution.

- Emulsifier, antistatic agent. - Styrene co-polymers, coatings.

GC Retention time

105.000

88,000

71.000 W 0

Id Y CI .* E

54.000 +- x.

37,000

20.000 I I I I

1840.00 1120.00 400.0 4000.00 3280.00 2560.00 cm-'

Name : SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXYL) ESTER, SODIUM SALT

PM Nr : 91572 CAS Nr : 00577-1 1-7

KBr pellet

CAS NO. 00577-11-7

467

PM Ref. No. 91572

SULPHOSUCCINIC ACID, BlS(2-ETHYLHEXYL)ESTER

Peak wavenumbe 409.0 528.6 586.4 729.2 900.9 101 8.5 1051.3 1219.2 1381.2 1466.1 1738.1 2862.7 2930.2 2961.1

% T 90.3 87.5 88.1 88.9 73.7 71.1 36.9 26.0 69.8 60.1 25.9 54.9 35.2 32.6

Relative intensitv 13.1 16.9 16.1 15.0 35.5 39.0 85.2 99.9 40.8 53.9 100.0 60.9 87.5 91 .o

468

.no

(5.

YO.

85

80

15.

10

65.

601

55.

50.

45.

40.

35.

301

25.

2 0.

Sulphosuccinic acid, bis(2-ethylhexyl)ester, sodium salt

I 6 . 1 r T PHY 15 10

M/Z Ion Intensity ( %) M/Z Ion Intensity (%)

41 42 43 44 55 56 57 69 70 71


43.7 9.2

41.0 12.5 46.5 21.8 79.2 23.2

100.0 38.4

82 83 84 85 99 100 112 113 117 21 1


18.5 26.8 14.9 10.2 25.2 37.9 71.4 17.9 9.0

18.2

00577-11-7 SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXn) ESTER, SODIUM SALT

16384 'L Y

1 8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4 0 3.5 3 0 2.5 2 0 1.5 1.0 0.5 0.0

(PPm)

470

Tetrakis(2,4-di-tert-butylphenyl)-4,4’-biphenylylene diphosphonite


tert. Butyl tert. Butyl

tezt. Butyl tert. Butyl



Alternative names




GC Retention time

- 38613-77-3 - 92560 - SML = 18 mg/kg - CaH9204P2 - 1035

- Slightly yellow pastilles, mp 75 - 95°C. - Soluble in most organic solvents.



- Plastic stabilizer. - Polyolefins, styrene co-polymers, PC.

- Also known as CAS No. 118578-01-1 and

- Contains PM Ref. No. 74240 119345-01-6

105.000

91,000

77.000 u u

m Y Y .4 E

5 63.000 + x

49.000

35.000

4000.00 3284 00 2568 00 1852 . O O 1136.00 420.0 cm-'

Name : TETRA KIS (2,4-DI-TERT-B UTY LPHENY L)-4,4'-BIPHENYLY LENE DIPHOS PHONITE

PM Nr :92560 CAS Nr :38613-77-3

KBr pellet P =!

412

CAS NO. 38613-77-3 PM Ref. No. 92560

TETRAKIS (2,4-DI-TERT-BUTYLPHENYL)-4,4'-BlPHENYLYLENE DIPHOSPHONITE

Peak wavenumbe 451.4 463.0 495.8 538.2 576.8 644.3 688.7 771.6 814.1 850.7 889.3 906.7 1084.1 1124.6 1 155.5 1 192.2 1211.4 1248.1 1275.1 1361.9 1400.5 1462.2 1493.1 1601.1 1728.4 2868.5 2907.1 2959.2

% T 94.7 94.4 86.4 91.3 87.8 82.2 75.1 64.2 67.0 43.8 80.1 63.7 47.8 75.7 75.6 48.0 51.2

66.63 66.38 64.96 70.49 70.41 46.57 85.27 84.57 62.80 59.82 39.66

qelative intensity 8.8 9.2 22.6 14.4 20.2 29.5 41.3 59.4 54.7 93.1 33.0 60.1 86.5 40.3 40.4 86.3 80.8 55.3 55.7 58.1 48.9 49.0 88.5 24.4 25.6 61.6 66.6 100.0

473

389

333

L 1 I I 1

1.1E5

1.9E4

5.3E4

2.6E4 6 4 6

I , , O.OEO

Tetrakis(2,4-di-tert-butylphenyl)-4,4’-biphenylylene diphosphonite

PM92560

1

44 1

1034

5.OE5

4.185

4.585

4.285

3.9E5

3.7E5

3.4E5

3.2E5

2.9E5

2.6E5

2.4E5

2.1E5

1.8E5

1.6E5

1.3E5

M/Z

41 43 55 57 58 74 91 147 149 175

Ion Intensity (%)

8.4 54.3

8.3 100.0 28.1 5.4 9.2

15.1 6.7 6.1

M/Z

191 192 206 333 389 390 44 1 442 646

Ion Intensity (%)

84.3 11.9 13.2 8.2

20.1 6.6

77.3 27.0

8.1




P 4 P

386 13-71-3 TETRAKIS(~,~-DI-~~I~-BUTYL-P€ENYL)-~,~'-BIPHENYLYLENE DIPHOSPHONITE

, . , I . ,

8 . z 7 . a 7 . 4 7 .O

475

t e r t . Butyl< , t e r t . Butyl

\ / CH3 CH3

CAS No. - 00096-69-5 PM Ref. No. - 92800 Restrictions - SML = 0.48 mg/kg Formula - CzzH3002S Molecular weight - 358

Alternative names - 4,4’-Thiobis(6-tert-butyl-m-cresol), Di(2-methyl- 4-hydroxy-5-tert-butylphenyl) thioether

Physical Characteristics - White to light yellow crystalline powder,

- Soluble in most organic solvents. mp > 158°C.





- Antioxidant. - Polyolefins, styrene co-polymers.


L==

c 0 0

L- o

c1 C 0

9 m

0 0 0

m ro

c)

0 0

N

0

0 0 f

0 0

0 h .-- -

0 0

9

2

0 0

0 ro Ln nl

0 C

0 m c\,

m

0 0

0 0 0 \-

C c

c;

477

CAS NO. 00096-69-5 PM Ref. No. 92800

4,4'-TH IOBIS(6-tert-BUTY L-3-M ETHYLPH E NOL)

Peak wavenumber 426,3 461 ,O 51 1,2 571 ,O 586,4 628,9 735,O 848,8 898,9 933,7 995,4 1014,7 1028,2 1099,6 1 169,O 1 186,4 1 199,9 1255,8 1265,5 1315,6 1371,6 1446,8 1483,4 14950 1562,5 1601,l 2708,4 2868,5 2916,7 2961,l 3001,6 3065,3 31 17,4 3296,8 3510,9

Yo T ld,3 40,7 60,3 30,8 413 45,O 63,9 17,6 24,4 74,9 73,8 493 51,4 13,7 4,9 2,s 2,6 8,1 7,1 46,9 2 3 9,6 16,l 153 27,8 31 ,O 85,6 203 155 6,O 31,3 81,4 81,4 83 6,6

Relative intensity 82,8 60,8 40,7 71 ,O 60,O 56,4 37,O 84s 77,6 25,8 26,9 51,8 49,9 88,5 97,6 100,o 99,9 94,3 953 543 100,o 92,8 86,l 86,7 74,l 70,8 14,8 81,3 86,7 96,4 70,5 19,l 19,l 93,8 95,8

47 8

20 -

1!6 343 I

164


1 5 0

41 4.8 57 8.1 91 4.1 136 26.6 150 9.5 164 17.4 179 8.0

195 343 344 358 359 360

5.0 24.3 5.4

100.0 20.6 6.3

Spectrometer : Finnigan Mat SSQ 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 35-500

4,4'-THIOBIS(6-TERT-BUTYL-3-METHYLPHENOL) Solvent CDCL3 SF 250.13 SI 16384 SW 3125 NS 64 -

480

Thiodiethanol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate)

t e r t . Butyl, I

t e r t . B u t y i

J 2

CAS No. - 41484-35-9 PM Ref. No. - 92880 Restrictions - SML = 2.4 mg/kg Formula - C,*H,*O,S Molecular weight - 642

Alternative names - Benzenepropanoic acid, 3,5( 1,l-dimethylethy1)- 4-hydroxy-,thiodi-2, l-ethanediyl ester

Phvsical Characteristics - White cristalline powder, mp 63 - 67°C. - Soluble in most organic solvents.

Handling, Safetv Availability


- Store at room temperature. - Toxic. - Standard sample was supplied.

- Antioxidant. - Styrene co-polymers, polyolefins.


482

CAS NO. 41484-35-9 PM Ref. No. 92880

THIODIETHANOL BIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPIONATE

Peak wavenumber 410,9 436,O 464,9 61 9,2 642,4 671,3 767,8 829,5 848,8 879,7 904,7 931,7 966,5 985,7 1026,3 1055,2 1 120,8 1 147,8 1 186,4 1203,7 1236,5 1273,2 1286,7 1300,2 1346,5 1361,9 1379,3 1435,2 1738,l 2882,O 2914,8 2937,9 2955,3 3454,9 3591,9

Yo T 88,7 84,3 83,6 86,6 80,4 89,l 63,5 90,4 85,4 57,3 86,9 80,2 78,9 66,6 78,6 52,O 26,6 19,l 28,4 24,l 30,5 62,5 44,2 58,l 45,9 52,2 41,2 24,6 14,3 44,l 36,l 29,7 24,6 83,9 35,9

Relative intensity 13,2 18,3 19,1 15,6 22,9 12,7 42,6 11,2 17,0 49,8 15,3 23,1 24,6 38,9 25,0 56,0 85,6 94,3 83,5 88,5 81 ,O 43,7 65,1 48,9 63,1 55,7 68,6 87,9 99,9 65,2 74,5 82,0 87,9 18,8 74,7

483

Thiodiethanol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate)

I !


41 43 55 57 87 105 145 147 203 217


41.1 34.4 30.1

100.0 32.5 24.5 25.2 31.3 39.3 23.9

219 233 249 263 278 304 308 364 642 643


67.5 20.9 39.9 91.4 25.8 20.9 39.9 20.9 13.5 4.8

P 00 P

[E) ("*"") 41484-35-9 THIODIETHANOL BIS(3-(3,5-DI-TERT-BUTYL-

4-HYDROXYPHENYL,) PROPIONATE)

r----

16384 SW 3125 NS 44

485

Thiodipropionic acid, didodecyl ester

r

1


Alternative names




GC Retention time

1

2 J

- 00123-28-4 - 93120 - SML = 3.0 mg/kg - C,,H,,O,S - 515

- Propanoic acid, 3,3’-thiobis-, didodecyl ester

- White powder, mp 38 - 40°C. - Soluble in most organic solvents.



- Co-stabilizer. - General use.

- 70.0 min.

486

i f

i 0 0 0

Ln z

0 0 D

m m

0 0 0

P, m

0 0

0

2 -

0

0 T

9

m c

0 0

0 \D Ln

N

0 0

0

N m m

0

0 0 0

0 - 0 0

0 N

9

T 8 m

2 .. 2 Y V

8

2 E

E ..

a

CAS NO. 00123-28-4

487

PM Ref. No. 93120

THlODlPROPlONlC ACID, DIDODECYL ESTER

Peak wavenumber

436

501,6

675,2

71 9,5

785,l

933,7

954,9

964,5

983,8

1016,6

1051,3

1101,5

1172,9

1238,5

1352,3

1396,6

1423,6

1466,l

1738,l

2851,l

2918,7

2955,3

% T

78,2

93,7

92,O

77,2

759

82,8

79,8

773

83,8

84,6

74,4

85,4

26,O

40,8

47,8

744

69,O

65,7

27,9

33,l

26,O

43,O

Relative intensitv

29,4

8 3 10,8

30,8

32,5

23,2

27,3

30,4

21,9

20,8

34,6 19,7

99,9

79,9

70,5

34,6

41,9

46,3

97,3

90,3

100,o

77,O

488

55 100

8 0

60

40

2 0

M/Z

43 55 56 57 69 71 73 83 85 89


i;i

Source Temperature Electron Energy Scan Range

Thiodipropionic acid, didodecyl ester

1

178 I

I

,j ro',,)24;,q7i,, , , 1 9 ; '267

200 300

5 1%

$7 441

400 500

Ion Intensity (%) M/Z Ion Intensity (%)

82.7 100.0 30.5 79.9 41.5 38.6 24.0 28.8 19.2 21.4


97 105 111 132 143 161 178 329 514 515

35.9 12.2 11.9 18.3 37.6 23.8 29.7 5.5 3.8 1.2

489

L

490

Thiodipropionic acid, ditetradecyl ester

2

CAS No. - 16545-54-3 PM Ref. No. - 93360 Restrictions - SML = 3.0 mg/kg Formula - C34H65O4S Molecular weight - 570

Alternative names




- Propanoic acid, 3,3’-thiobis-, ditetradecyl ester

- White crystalline powder, mp 50°C. - Soluble in most organic solvents.



- Stabilizer. - General use.


49 1

0 0 0

0 - 0

0

0 0 0

7 0 N

0 0 0

N w

0 0 0

m \D

0 0 0

v

0 0 0

Ln 0 m 7

a3ueqTrwsueJl x

0

0 0 v

0 0

0 N

c c

0 0

0 v

m

0 0

0 L n Ln N

0 0

0

N m m

0 0

492

CAS NO. 16545-54-3 PM Ref. No. 93360

THlODlPROPlONlC ACID, DITETRADECYL ESTER

Peak w aven u m be 412.8 439.8 451.4 719.5 729.2 785.1 954.9 964.5 989.6 1032.0 1049.4 1072.6 1 107.3 1172.9 1238.5 1259.7 1352.3 1396.6 1423.6 1464.2 1473.8 1738.1 2330.3 2849.2 291 8.7 2955.3 3441.4

% T 86.2 87.1 74.5 62.6 65.5 65.4 68.0 63.0 78.3 79.9 54.6 70.1 79.3 3.6 11.6 55.5 19.5 57.0 50.8 40.5 39.3 7.3 87.3 3.0 1.7 12.8 91.2

3elative intensity 14.0 13.1 26.0 38.0 35.1 35.2 32.5 37.7 22.1 20.5 46.2 30.4 21 .I 98.0 89.9 45.2 81.9 43.7 50.0 60.5 61.7 94.2 13.0 98.6 100.0 88.7 8.9

493

Thiodipropionic acid, ditetradecyl ester

80 -

60 -

40 -

20 -

69

100

M/Z

43 55 57 69 71 73 82 83 85 89

I

I 178 I , \ , I !;,5, ;!;, ~ , , , :5iy :;:, I , , , , , , , , , , , , , , , , 2 0 0 3 0 0 400 500

Ion Intensity (%) M/Z Ion Intensity (%)

100.0 89.8 76.4 35.2 29.8 25.7 10.1 25.3 15.5 17.2


: Finnigan Mat SSQ 700 : capillary GUMS


97 105 133 143 161 178 269 357 570

17.7 9.0

32.7 31.1 17.5 27.2 4.5 5.4 3.0

495

Triethgl acetglcitrate


Alternative names




GC Retention time

- 00077-89-4 - 94240 - None - C,,HZZO, - 318

- 1,2,3-Propanetricarboxylic acid, 2-(acety1oxy)-, triethyl ester

- Colourless liquid.

- Soluble in most organic solvents. bp 228 - 229°C (100 mm Hg).




- 32.7 min.

496

-=-

-

I I I I I I

- 'E

00 0 9c

0 0

0

2 c

0 9 9 ??

0

0 a ln N

9

0

0 9

m w

8

w,

0 0 0

ln

51

0 0 0

b a

0 0 0

* m

0

8 m N

0 0 0

0 c

CAS NO. 00077-89-4

TRIETHYL ACETYL CITRATE

Peak wavenumbei 414.8 428.3 488.1 603.8 655.9 783.2 860.4 1028.2 1097.6 1142.0 1 186.4 1286.7 1346.5 1371.6 1446.8 1743.9 2910.9 2941.8 2984.2

% T 87.4 89.8 94.7 92.6 92.7 92.1 91.3 52:O 77.5 66.4 35.5 53.4 72.2 54.5 80.5 21.1 88.3 82.8 73.2

497

PM Ref. No. 94240

3elative intensity 16.0 12.9 6.7 9.4 9.3 10.0 11.0 60.9 28.6 42.6 81.8 59.0 35.3 57.7 24.7 100.0 14.9 21.8 34.0

49 8

1

1 8 5

JLk 2

Triethyl acetylcitrate

100

80

60

40

2 0

3

141

c, 150


29 39.6 43 90.6 115 21 .o 130 7.6 139 10.8



Scan Range : 25-350

3

213

',r5, ~, 2 i 5 , , , , ';?, , , , I , , ,

250 3 0 0


157 100.0 158 8.4 203 44.3 213 13.2 273 6.5

499

i 1 J

\ - \

I

500

Triethyleneglycol bis(3-(3-tert-butyl-4-hydroxy-5-methylphenyl) propionate)


1 ter t . B u t y i L

Alternative names




GC Retention time

- 36443-68-2 - 94400 - SML = 3.0 mg/kg - C34H5008 - 586

- Ethylene bis(oxyethylene)-bis(3-tert-butyl-4- hydroxy-5methylhydrocinnamate)

- Slightly yellow granules, mp 76 - 79°C. - Soluble in acetone, benzene, methanol,

chloroform.



- Antioxidant. - PVC, PVDC, PA, styrene co-polymers,

polyesters, polyacetals.

- 71.9 min.

50 1

7=- L.-.--

0 x 0 m

0 '31

0 0

0

L m x

CAS NO. 36443-68-2 PM Ref. No. 94400

TRIETHYLENEGLYCOL BlS-3-(3-tert-BUTYL-CHYDROXY- 5-METHYLPHENYL)PROPIONATE

Peak wavenumber 414,8 4553 495.8 524.7 5546 586,4 599.9 648.2 873,2 7542 7948 821,8 833.4 856.5 870,O

W , 9 943.3 9644 9893 1030,l 1041.7

1057,l 1070.6 1086.1 1107,3 1126,6 1143.9 1155.5 ll96,O 1225.0 1252,O 12751 1292,5 1331.0 1344.6 1365,s 1388.9 1419,8 1431,4 1442.9 1450.4 1485.4 1597,3 1682,l

1753.5 2359,2 2660,2 2822,2 2882.0 2912,9 2949,5 2995.8 3375,8 3480 3750.1

3800,2 3852,3 3869.7

% T 82,4 49,3 76,2 59,8 75,7 81,4

72,s 71,9

e3,2 33.9 89$ 74,6 59,7 86.4 24,2

544 33,l 57,4 70,O

441 52.5 22.7 40.0

43.4 72 9,6 6.7 4,7 2.5 8,6 31.4 30,8 41,s 40,3 30,2 28,7 29.6 35.4 23,O 20,9 28.4

20.9 78,i

843

85.9 89,4

58.8 30,7 12,9 14.5 32,6 51,O 17,7

83.5 858 85.1 57,l

7,2

lelative intensity 18,l 52,O 24.4

412 24,9 l9,l 27.9 28,8 17.2 67,8 313 28,l 41,3 35.5

77.8 45.9 68.6 43.7

30.8 57,4

48,7 79,3 81,6

58.1 95,2 92,s 957 97,s 1w,o 93,8 70.4 71 ,O 59.7 81,3 71,B 752 '

72.2 66,3 79,O 81,2 73.5 81.2

22.5 12.0 95.2 14.5 io,9 32.0 71,l 89.4 87.7 692 40,O

84.4 16.9 14,6 15,3 13.2

503

Triethyleneglycol bis(3-(3-tert-butyl-4-hydroxy-5-methylphenyl) propionate)

100 1

1 8 0

161

i 190

I 1 247 1 I 20

530

100 1 / , , , 1 , 1 : , , I / , , ) , , , / , , ,

2 6 9

, ( , , , , , , , , , , , , ! , / , , / I 5? 0

I

281 3:2 350

200 300 400 500


41 43 45 57 87 161 162 163 175 177

12.5 13.5 13.7 40.2 22.7 88.5 14.6 21.2 25.0

100.0

178 190 207 217 262 263 368 530 586

Ion Intensity (%)

11.6 68.3 11.4 20.5 9.4

15.8 25.7

1.6 2.6



Scan Range : 40-700

VI 0 P

36443-68-2 TRIETHYLENEGLYCOL BIS-3-(3-TERT-BUTYL-4- HYDROXY-5-METHYLPHENYL)PROPIONATE -

- Solvent CDCL3 SF 250.13 SI 16384 SW 3125 NS 76 -

505


Alternative names




GC Retention time

1 , 1 , 1-Trimethylolpropane

OH I CH2 I

C2H5-b-CH2-OH I CH2 I

OH

- 00077-99-6 - 94960 - SML = 6.0 mglkg - C,H,,O, - 134

- 1,1,1 (Trihydroxymethy1)propane 2,2(Dihydroxymethyl) butanol

- White flaked solid, mp 59"C, bp 297°C. - Soluble in water, alcohol, acetone.



- Stabilizer. - PVC, PVDC, PU, Polyesters.

- 20.4 min.

506

if

* 9 'a 5 0

0

0 9

c! c

0

9 !? z

0

0 \D In N

9

0

0

N m

9 m

0 0

0 0 0

0 - 0 0

0

0 0 0

m N

0 0 0

w

0 0

p1 L n

0 .O 0

u3

0 0 0

In c

m 9

m z

CAS NO. 00077-99-6

1,1,1 -TRIMETHYLOLPROPANE

507

PM Ref. No. 94960

Peak wavenumber 409

422,5 538,2 576,8 638,5 684,8 767,8 783,2 866,l 960,7 989,6 1016,6 1064,8 1 176,7 1 196,O 1292,5 1346,5 1439,l 1460,3 1475,7 1489,2 2675,6 2762,4 2858,9 2883,9 2934,l 2968,8 31 19,3 3152,l 3217,7 3233,l 3271,7

Yo T 65,3 73,2 71,4 59,7 49,8 46,4 49,8 45,5 86,4 53,9 30,9 19,o 25,4 71,8 67,l 61,l 433 58,l 52,O 47,8 49,8 79,7 72,3 46,2 45,3 34,5 40,8 50,7 42,3 29,6 25,8 23,5

Relative intensity 42,9 33,1 35,3 49,8 62,0

66,2 62,0 67,3 16,8 56,9 85,3 100,0 92,1

34,8 40,6 48,0

51,7 59,3 64,5 62,0 25,1

34,2 66,4 67,6 80,9 73,1

60,9 71,3 86,9 91,6 94,5

69,a

508

100

80

60

40

20

1 , 1 , l-Trimethylolpropane

8

7 1 73

\ * , , , , , , , “‘I i , i , 7 7 I , 77 i , , , , , 8 ~ , ,

60 7 0 80


41 43 44 45 53 55 56 57 58 67

31.3 21.6 9.8 5.3 6.6

32.6 4.6

100.0 9.0 8.8

68 69 70 71 73 75 77 83 86 87

li,

Ion Intensity (%)

13.4 9.6

11.8 16.6 16.4 9.9 6.8 4.7

62.7 5.1



Scan Range : 40-500

509

I

\

510

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

t e r t . Butyl t e r t . Butyl

t e r t . Butyl

HO

t e r t . Butyl


Alternative names

- 01709-70-2 - 95200 - None

- Phenol, 4,4' ,4"-((2,4,6-trimethyl- 1,3 3- benzenetriy1)-tris(methy1ene)) tris(2,6-bis( 1,l- dimethylethy1))-

Phvsical Characteristics - White powder, mp 240 - 245°C. - Soluble in most organic solvents.






GC Retention time

51 1

0 0

8 8 0 0

P- v)

8 0

P-

8 0 0 0

v)

0 L n N c

g. m cn m

0

? 0 N -

0 0

0 -?

DD

0 0

0

N 4

s 0

N m m

0 0

Y

P 1

512

CAS NO. 01709-70-2 PM Ref. No. 95200

1,3,5-TRIMETHYL-2,4,6-TRlS(3,5-DI-tert.BUTYL-4- HY DROXY BENZY L)BENZENE

Peak wavenumber 414,8 424,4 4493 505,4 588,4 621,2 769,7 787,l 870,O 889,3 1024,3 1120,8 1 153,6 1209,5 1226,9 12363 1317,5 1360,O 1390,9 1435,2 2872,4 2912,9 2957,2 36303 3649,8

% T 85,O 87,7 93,O 94,4 92,7 93,6 79,2 84,O 77,6 88,6 89,5 61 ,O 573 68,7 52,3 56,4 78,l 74,O 76,l 33,O 61,O 54,3 32,l 67,3 59,2

Relative intensity 22,l 18,l 10,3 8 2 10,8 9,4 30,6 23,6 33,O 16,8 153 57,4 62,6 46,l 70,3 64,2 32,3 38,3 35,2 98,7 57,4 67,3 100,o 48,2 60,l

513

1 ,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

%age

0 200 400 600

9

" I 800


54 25.3 153 6.0 191 5.3 206 20.0 48 1 12.7


482 5.3 676 13.3 677 8.7 729 100.0 730 73.3

514

i

1

i

515

1,3,5-Tris(3,5-di-tert-butyl-4-hydroxyben~l)-l,3,5-triazine-2,4,6(lH,3H,5~ trione

t e r t . Butyl ,$, e l t . Butyl

CH2

ov+ I 1

t e r t . Bucyl

t e r t . Butyl OH

test. Butyl HO t e l t . BUtyl

CAS No. - 27676-62-6 PM Ref. No. - 95360 Restrictions - SML = 5.0 mg/kg Formula - C48H6!3N306

Molecular weight - 784

Alternative names

Physical Characteristics - White powder, mp 219.5 - 225.5"C. - Soluble in acetone, benzene, chloroform.

Handling Safety Availabilitv





GC Retention time

516

- 0 0 8 0

t

0 0

0 N - -

0 3

0 t

m -

0 0

0 rr" Ln nl

0 0

0 00 n1 m

0 0

0 n 0 CI CI C U 0 0 a 2

3 0 D

CI 0 c)

CI 0 0

CAS NO. 27676-62-6

517

PM Ref. No. 95360

1 ,3,5-TRIS(3,5-DI-tertt-BUTYL-4-HYDROXYBENZYL)-l ,3,5- TRIAZINE-2,4,6( 1 Hl3H,5H)-TRIONE

Peak wavenumber 420,5 451,4 490,O 657,8 669,4 763,9 792,8 814,l 889,3 1122,7 1167,l

11 97,9

1213,4 1236,5 131 5,6 1360,O 1390,9 1439,l 1452,6 1603,O 1691,8 2876,2 291 6,7 2961,l

3377,8

3557,2

363a,2

% T 73,9 57,8 57,6 88,l 757 49,l 75,O 86,7 57,5 42,8

41,9 60,O

40,9 33,6 25,6 29,7 65,6 10,7

8 2 90,2

7,3 54,6 46,l 22,9

90,o 68,2

38,2

Relative intensity 28,2 455 457 128 26,2 54,9 27,O 14,4 459 61,7 62,7 43,2

638 71,6 803 759 37,l 96,4 99,l 10,6 100,o 49,O 58,2 83,2 10,8 34,3

66,7

518

1 ,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 1,3,5-triazine-2,4,6( 1 H ,3H, 5H)trione

Z.QE6

1.7E6

1.5E6

1.2E6

8.7E5

2.9E5

0. QEO


41 43 55 57 91 105 119 133 145 147


36.2 44.8 17.2 20.9 21.5 17.8 23.3 17.2 17.2 19.0

161 162 175 190 203 205 219 220 784 785


100.0 18.4 44.2 23.3 81.6 17.2 49.1 30.7 16.0 8.6

21616-62-6 1 , 3 , 5 - ~ S ( 3 , 5 - D I - T U T ~ ~ - H Y D R O X Y B E N Z Y 1,3,5-TRLAZINE-2,4.61~3H.5~-~0~

16384 SW 3125 NS 80

520

CAS No.

00077-89-4 00077-93-0 00077-99-6 00078-51-3 00078-72-2 00080-05-7 00084-61 -7 00084-66-2 00084-69-5 00084-74-2 00085-68-7 00088-24-4 00096-69-5 00099-76-3 00 100-4 1-4 00102-08-9 00102-76-1 00103-23- 1 00103-24-2 00105-99-7 00106-03-6 001 08-90-7 00 109-43-3 001 10-30-5 001 12-84-5 001 12-92-5 001 15-86-6 00117-81-7 00119-47-1 00120-40-1 00120-78-5 00121-79-9 00 122-62-3

CONTENTS IN CAS NUMBER ORDER.

PM Ref. Substance - No.

33800

34240

94240 44640 94960 73600 74000 40060 74960 75120 75280 74880 74560 66400 92800 60200 53255 51680 57760 3 1920 36320 32240 36400 67280 85360 53520 52720 68225 73920 74640 66480 39280 46400 55360 85 120

Alkyl (C 10-C 13)benzenesulphonic acid, sodium salt Alkyl (ClO-C2O)sulphonic acid, esters with phenols Triethyl acetylcitrate Citric acid, triethyl ester 1 , 1 , l-Trimethylolpropane Phosphoric acid, tributoxyethyl ester Phosphoric acid, tris(2-ethylhexyl) ester Bisphenol A Phthalic acid, dicyclohexyl ester Phthalic acid, diethyl ester Phthalic acid, diisobutyl ester Phthalic acid, dibutyl ester Phthalic acid, benzyl butyl ester 2,2’-Methylenebis(4-ethy1-6-tert-butylphenol) 4,4’-Thiobis(6-tert-buty1-3-methylphenol) 4-Hydroxybenzoic acid, methyl ester Ethylbenzene N, N’-Diphenylthiourea Glycerol triacetate Adipic acid, bis(2-ethylhexyl) ester Azelaic acid, bis(Zethylhexy1) ester Adipic acid, dibutyl ester Azelaic acid, bis(6-methylheptyl) ester Monochlorobenzene Sebacic acid, dibutyl ester N,N’-Ethylenebisstearamide Erucamide 1 -0ctadecanol Phosphoric acid, triphenyl ester Phthalic acid, bis(2-ethylhexyl) ester 2,2’-Methylenebis(4-methy1-6-tert-butylphenol) N, N -Bis(2-hydroxyethyl)lauramide Dibenzothiazyl disulphide Gallic acid, propyl ester Sebacic acid, bis(Zethylhexy1) ester

Page No.

32

39

495 105 505 308 328 95

361 366 37 1 356 346 254 475 220 170 148 205 22 44 27 49

269 426 175 160 274 323 35 1 259 79

110 190 42 1

52 1

CAS No.

00 123-28-4 00 123-95-5 00124-26-5 00126-71-6 00 126-73-8 00 128-37-0 0013 1- 11-3 001 3 1-56-6 00 13 1-57-7 00 149-57-5 00301-02-0 00577- 1 1-7

0061 1-99-4 00948-65-2 0099 1-84-4

01241-94-7 01 333-2 1-7

01338-39-2 01 338-4 1-6 0 1338-43-8 0 1709-70-2

01843-05-6 02082-79-3

02440-22-4 03896-1 1-5

04066-02-8

06683- 19-8

07128-64-5 08002-74-2

08045-34-9

PM Ref. Substance - No.

93 120 89120 88960 73840 73680 46640 75600 48640 61360 54120 68960 91572

48720 72160 40000

72800 74400

87600 87840 87680 95200

61600 68320

61440 60400

66560

71680

38560 71281

89520

Thiodipropionic acid, didodecyl ester Stearic acid, butyl ester Stearamide Phosphoric acid, triisobutyl ester Phosphoric acid, tributyl ester 2,6-Di-tert-butyl-p-cresol Phthalic acid, dimethyl ester 2,4-Dihydroxybenzophenone 2-Hydroxy-4-methoxybenzophenone 2-Ethylhexanoic acid Oleamide Sulphosuccinic acid, bis(Zethylhexy1) ester, sodium salt 4,4’ -Dihy droxybenzophenone 2-Phenylindole 2,4-Bis(octylmercapto)-6-(4-hydroxy-3,5-di- tert-butylanilino)-1,3,5-triazine Phosphoric acid, diphenyl2-ethylhexyl ester Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester Sorbitan monolaurate Sorbitan monostearate Sorbitan monooleate 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4- hydroxybenzy1)benzene 2-Hydroxy-4-n-octy loxybenzophenone Octadecyl 3-(3,5-di-tert-butyl-4- hydroxyphenyl) propionate 2-(2-Hydroxy-5-methylphenyl)benzotriazole 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)- 5-chlorobenzotriazole 2,2’-Methylenebis(4-methyl-6-cyclohexylphenol) Pentaerytritol tetrakis(3-(3,5-di-tert-butyl-4- hydroxypheny1)propionate) 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated) Stearic acid, esters with pentaerytritol

Page No.

485 45 1 446 318 313 116 391 126 239 185 284 465

131 298 85

303 340

43 1 44 1 436 510

249 279

244 230

264

294

54 289

456

522

CAS No.

09003- 1 1-6 09016-00-6 15571-58-1 16545-54-3 23 128-74-7

23949-66-8 250 13- 16-5 25496-72-4 26401-86-5 26401-97-8 26523-78-4

26741-53-7

2676 1-40-0 27107-89-7 27176-87-0 27554-26-3 27676-62-6

28533- 12-0 3 1566-3 1-1 3 1570-04-4 32509-66-3

32687-78-8

35074-77-2

36443-68-2

38613-77-3

41484-35-9

58446-52-9 61167-58-6

- No.

79930 76720 50320 93360 59120

53200 40720 56960 67760 50480 74400

38820

75360 67680 52000 75520 95360

75440 57520 74240 53670

38800

59200

94400

92560

92880

90720 31520

Substance Pane No.

Poly(ethy1ene propy1ene)glycol Polydimethylsiloxane Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) Thiodipropionic acid, ditetradecyl ester 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4- hydroxypheny1)propionamide) 2-Ethoxy-2 ’-ethyloxanilide tert-Butyl-4-hydroxy anisole Glycerol monooleate Mono-n-octyltin tris(isoocty1 mercaptoacetate) Di-n-octyltin bis(isoocty1 mercaptoacetate) Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite Phthalic acid, diisodecyl ester Mono-n-octyltin tris(Zethylhexy1 mercaptoacetate) Dodecylbenzenesulphonic acid Phthalic acid, diisooctyl ester 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 1,3,5-triazine-2,4,6( 1 H, 3H,5H)-trione Phthalic acid, diisononyl ester Glycerol monostearate Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester Ethyleneglycol bis(3,3-bis(3-tert-butyl-4- hydroxypheny1)butyrate) N, N’-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionyl) hydrazide 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4- hydroxypheny1)propionate) Triethyleneglycol bis(3-(3-tert-butyl-4- hydroxy-5-methylphenyl) propionate) Tetrakis(2,4-di-tert-butylpheny1)-4,4’- biphenylylene diphosphonite Thiodiethanol bis(3-(3,5-di-tert-butyl-4- hydroxyphenyl) propionate) Stearylbenzo ylmethane Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2- hydroxy-5-methylbenzyl)-4-methylphenyl ester

406 396 136 490 210

165 100 195 142 142 340

64

376 136 156 386 515

381 200 333 180

59

215

500

470

480

460 17

CAS No.

61348-62-9 61791-28-4 63231-60-7

65 140-91-2

65447-77-0

68037-12-7 70198-29-7

7032 1-86-7

71786-60-2 7 1878- 19-8

79072-96- 1 85566-24- 1 110553-27-0

PM Ref. Substance

523

Page No. - No.

76720 77760 71281

46880

60800

80550 60800

60320

39090 81200

38950 3 1304 40020

Pol ydimethylsiloxane Polyethyleneglycol ether of tallow fatty alcohol Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated) 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid, dimethyl ester, copolymer Polyolefins 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid, dimethyl ester, copolymer 2-(2-Hydroxy-3,5-bis( 1,l-dimethylbenzy1)phenyl) benzotriazole N,N-Bis(2-hydroxyethyl)alkyl(C8-C 18)amine Poly[6-[( 1,1,3,3-tetramethylbutyl)amin0]-1,3,5- triazine-2,4-diyl] - [ (2,2,6,6-tertramethyl-4- piperidyl)imino]hexamethylene[(2,2,6,6- tertramethyl-4-piperidy1)iminol Bis(4-ethylbenzylidene) sorbitol Acids, fatty (C14-C18), alkyl (C14-C18) ester 2,4-Bis(octylthiomethyl)-6-methylphenol

396 40 1 289

121

235

41 1 235

225

74 416

69 9

90

524

POLYMER ABBREVIATIONS

- CA

- EVA

- PA

- PBT

- PC

- PE

- PET

- PMMA

- PP

- PS

- PSO

- PTFE

- PU

- PVA

- PVC

- PVDC

Cellulose acetate

Ethylene vinyl acetate

Polyamide

Polybutadiene terephthalate

Polycarbonate

Polyethylene

Polyethylene terephthalate

Pol ymethylmethacrylate

Polypropylene

Polystyrene

Pol y sulfone

Pol ytetrafluoroethylene

Polyurethane

Polyvinyl alcohol

Polyvinyl chloride

Polyvinylidene chloride

The Communities research and development information service

C O R D I S

dissemination strategy

CORDIS is the information service set up under the VALUE programme to give quick and easy access to information on European Community research programmes. It is available free-of-charge online via the European Commis-ton host organization (ECHO), and now also on a newly released CD-ROM.

CORDlS offers the Riropean R&D community:

- a comprchensive op-to-date view of EC R&TD activities, through a set of databases and related

- quick and easy access to information on EC research programmes and results, - a continuously evolving Commission service tailored to the needs of the research community and

- full user support, including documentation, training and the CORDIS help desk.

services,

industry,

The CORDlS Databases are:

RBTD-programmes - RBTD-projects - RBTD-partners - RBTD-results RBTD-publications - RBTD-corndocuments - RBTD-acronyms - R&TD-news

Make sure your programme gains the maximum benefit from CORDlS

- Inform the CORDIS unit of your programme initiatives,

- contribute information regularty to CORDIS databases such as R&TD-news, R&TD-publications and

- use CORDIS databases. such as R&TD-partners, in the implementation of your programme, - consult CORDIS for up-to-date information on other programmes relevant to your activities,

- inform your programme participants about CORDIS and the importance of their contribution to the

- contribute to the evolution of CORDIS by sending your comments on the service to the CORDIS

R&TD-programmes,

service as well as the benefits which they will derive from it,

Unit.

For more information about contributing to CORDIS, contact the DG XI11 CORDIS Unit

Emssels Ms I. Vounaltis

Tel. +(32) 2 299 0464 Fax +(32) 2 299 0467

Luxembourg M. 6. Niessen

Tel. t(352) 4301 33630 Fax t(352) 4301 34989

To register for online access to CORDIS, contact:

ECHO Customer Service BP 2373

L-1023 Luxembourg Tel. +(352) 3498 1240 Fax +(352) 3190 1248

I f you are already an ECHO user, please mention your customer number.