chemical update worksheet - michigan...source: pprtv, 07/13/2007 tier 1 and 2 sources: iris: the rfd...

CHEMICAL UPDATE WORKSHEET

Chemical Name: Hexachlorobutadiene CAS #: 87-68-3 Revised By: RRD Toxicology Unit

Revision Date: August 18, 2015

(A) Chemical-Physical Properties Part 201 Value Updated Value Reference Source Comments

Molecular Weight (g/mol) 260.76 260.76 EPI EXP

Physical State at ambient temp Liquid Liquid MDEQ

Melting Point (˚C) 253 -21.00 EPI EXP

Boiling Point (˚C) 215 215.00 EPI EXP

Solubility (ug/L) 3230 3200 EPI EXP

Vapor Pressure (mmHg at 25˚C) 0.1748 2.20E-01 EPI EXP

HLC (atm-m³/mol at 25˚C) 8.15E-3 1.03E-02 EPI EXP

Log Kow (log P; octanol-water) 4.81 4.78 EPI EXP

Koc (organic carbon; L/Kg) 53500 845.2 EPI EST

Ionizing Koc (L/kg) NR NA NA

Diffusivity in Air (Di; cm2/s) 0.0561 2.67E-02 W9 EST

Diffusivity in Water (Dw; cm2/s) 6.16E-6 7.03E-06 W9 EST

Soil Water Partition Coefficient (Kd; inorganics) NR NR NA NA

CHEMICAL UPDATE WORKSHEET Hexachlorobutadiene (87-68-3)

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Part 201 Value Updated Value Reference Source Comments

Flash Point (˚C) NA 90 PC EXP

Lower Explosivity Level (LEL; unitless) NA NA NA NA

Critical Temperature (K) 7.38E+02 EPA2004 EXP

Enthalpy of Vaporization (cal/mol) 1.02E+04 EPA2004 EXP

Density (g/mL, g/cm3) 1.556 CRC EXP

EMSOFT Flux Residential 2 m (mg/day/cm2) 7.64E-06 2.56E-05 EMSOFT EST

EMSOFT Flux Residential 5 m (mg/day/cm2) 7.66E-06 5.37E-05 EMSOFT EST

EMSOFT Flux Nonresidential 2 m (mg/day/cm2) 9.15E-06 3.97E-05 EMSOFT EST

EMSOFT Flux Nonresidential 5 m (mg/day/cm2) 9.16E-06 7.92E-05 EMSOFT EST


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(B) Toxicity Values/Benchmarks Part 201 Value Updated Value Source/Reference/

Date Comments/Notes

/Issues Reference Dose (RfD) (mg/kg/day) 2.0E-3 1.0E-3 PPRTV, 2007

RfD details

Rat chronic feeding study. NOAEL = 0.2 mg/kg; LOAEL = 2 mg/kg; Critical effect = kidney toxicity. UF = 100; (Kociba et al., 1977).

Tier 2 Source: PPRTV: Basis: PPRTV is a Tier 2 source and is a more current evaluation than MRL; no Tier 1 available. PPRTV RfD = 1.0E-3 mg/kg-day Critical Study: NTP. 1991. NTP Report on the Toxicity Studies of Hexachloro-1, 3-butadiene in B6C3F1 Mice (Feed Studies). U.S. Department of Health and Human Services, Research Triangle Park, NC. NIH Publication No. 91-3120. Yang, R.S., K.M. Abdo, M.R. Elwell, A.C. Levy and L.H Brennecke. (1989) Sub chronic toxicology studies of hexachloro-1, 3-butadiene (HCBD) in B6C3F1 mice by dietary incorporation. J. Environ. Pathol. Toxicol. Oncol. 9:323-332. Method(s): B6C3F1 mice (n=10/sex/dose) were administered hexachlorobutadiene in the diet at average daily doses of 0, 0.1, 0.4, 1.5, 4.9 or 16.8 mg/kg-day in males and 0, 0.2, 0.5, 1.8, 4.5 or 19.2 mg/kg-day in females for 13 weeks. Critical effect: Renal tubule regeneration. End point or Point of Departure (POD): The POD is set equal to the BMDL10 of 0.1 mg/kg-day. The quantal Benchmark Dose (BMD) models in the BMD software package (U.S. EPA, 2007; Version 1.3.2) were fit to the female mouse renal tubule regeneration data in Table 1 (NTP, 1991; Yang et al., 1989). The gamma, log-probit, Weibull and log-logistic give virtually the same fit with indistinguishable Akaike Information Criterion (AIC). The BMD and BMDL10 values were all the same at 0.2 and 0.1 mg/kg-day, respectively. The Weibull had the best fit in the region of the BMR (lowest absolute scaled residual at 0.2 mg/kg-day, although the differences among the models are minimal (see Appendix 1). The 1st-order multistage fit adequately (p = 0.37) but had a much higher AIC than the aforementioned model fits. Uncertainty Factors: = 100 (3 [i.e., 100.5] for interspecies extrapolation, 3 for database deficiencies, and 10 for interspecies variability). A sub chronic-to-

Complete


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Part 201 Value Updated Value Source/Reference/Date

Comments/Notes/Issues

chronic uncertainty factor was not included because a chronic 2-year rat study (Kociba et al., 1977) indicates that prolonged exposure does not result in toxicity at lower doses than for sub chronic exposure. Source: PPRTV, 07/13/2007 Tier 1 and 2 Sources: IRIS: The RfD was withdrawn on 05/01/1993 as a result of further review. An updated RfD was never provided. MRL (05/1994): Oral intermediate MRL of 0.0002 mg/kg/day Critical Study: NTP. 1991. National Toxicology Program. Toxicity studies of hexachloro-1, 3-butadiene in B6C3F1 mice (feed studies). Research Triangle Park, NC: U.S. Department of Health and Human Services, Public Health Service, National Institutes of Health. NIH publication no. 91-3120. Critical effect: kidney damage in female mice. Tubular cell degeneration and regeneration in the renal cortex were found in treated animals. End Point or Point of Departure (POD): a LOAEL of 0.2 mg/kg/d was identified for kidney damage in female mice. Uncertainty Factors: = 1,000 (specific uncertainty factor contributions to the total were not specified). A chronic-duration study in animals revealed tubular hyperplasia in rats at dose levels of 2 mg/kg/day or greater (Kociba et al. 1977), but not at 0.2 mg/kg/day, the LOAEL for kidney effects from the intermediate-duration study in mice. Because the intermediate-duration MRL protects against chronic exposures, a chronic MRL has not been proposed. Final Toxicological Profile 05/1994. An addendum to the Tox Profile was published in December 2012 but no changes in the MRL were produced. Tier 3 Source: MDEQ-WRD, 04/07/1997 calculation date: RfD = 6.7E-5 mg/kg/d. Male and female B6C3F1 mice were fed 0, 1, 3, 10, 30, or 100 ppm hexachlorobutadiene for 13 weeks in studies conducted by Yang et al. (1988) and Yang (1991). A LOAEL of 0.2 mg/kg/d was found in female mice for renal toxicity (UF=3,000). No NOAEL


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for female mice was available in this study due to the incidence of renal tubular cell regeneration which occurred in at least one mouse in each treatment group.

Oral Cancer Slope Factor (CSF) (mg/kg-day)-1)

5.2E-2 7.8E-2 IRIS, 1991

CSF details

Renal tumors in male rats generated the highest potency value in a two-year cancer bioassay conducted by Kociba (1977). Rats were administered 0.2, 2, or 20 mg/kg/d in the feed for 22 months. Revised species scaling factor of (BWh/BWa) to the 0.25 power used for q* calculation. RD calculation date: 1/13/00.

Tier 1 Source: IRIS: Basis: IRIS is a Tier 1 source. IRIS cancer slope factor = 7.8E-2 per mg/kg-day Critical Study: Kociba, R.J., D.G. Keyes, G.C. Jersey, et al. (1977) Results of a two-year chronic toxicity study with hexachlorobutadiene in rats. Am. Ind. Hyg. Assoc. J. 38: 589-602. Method(s): Sprague-Dawley rats (n=39-40/sex/dose) were fed hexachlorobutadiene in diet at 0, 0.2, 2, or 20 mg/kg/d for up to 24 months. Critical effect: renal tubular adenomas and adenocarcinomas in male rats Carcinogen Weight-of-Evidence (WOE) Class: C; possible human carcinogen. IRIS WOE Basis: Observation of renal neoplasms in male and female rats in one study. Source: IRIS, 04/01/1991 Tier 2 Sources: PPRTV: Per PPRTV, The carcinogenicity assessment, which includes an oral slope factor and inhalation unit risk, is on IRIS (U.S. EPA, 1991). MRL: NA, MRLs are developed for non-cancer effects only. Tier 3 Source: MDEQ-RRD: Per DEQ-CCD, oral cancer slope factor = 0.052 per mg/kg-day (Kociba et al., 1977). 01/13/2000.

Complete

Reference Concentration (RfC) or Initial Threshold Screening Level (ITSL) (µg/m³)

NA NA MDEQ, 2015


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RfC/ITSL details

Tier 1 and 2 Sources: IRIS (05/01/1993): Per IRIS: not available at this time. PPRTV: Per PPRTV (7/13/2007), the available data are inadequate to support derivation of a provisional inhalation RfC for HCBD. Reduced body weight gain was observed in dams following inhalation exposure in the Saillenfait et al. (1989) rat developmental toxicity study (NOAEL of 2 ppm). However, this study included limited evaluation of non-developmental endpoints, no examination of the respiratory tract and no assessment of kidney toxicity, the critical effect for oral exposure. The only other inhalation study of appropriate duration to consider for RfC derivation is the Dow Chemical study briefly described by Torkelson and Rowe (1982). However, the existing description of this study provides insufficient information to assess the study, and attempts by the PPRTV authors to obtain more detailed information about the study were unsuccessful. The database for oral toxicity of HCBD is more extensive than that for inhalation toxicity (ATSDR, 1994). The kidney appears to be the most sensitive target of HCBD by oral exposure. However, due to overt signs of respiratory irritation and uncertainty regarding the relative sensitivity of the respiratory tract as compared to the kidney with long-term inhalation exposure, an RfC is not derived. MRL (05/1994): Inhalation MRLs have not been derived for any duration category due to the lack of sufficient data to identify a target organ and reliable NOAEL values. Tier 3 Source: MDEQ-AQC: No AQD ITSL entry in DEQ-CCD.

Complete

Inhalation Unit Risk Factor (IURF) ((µg/m3)-1)

2.2E-5

2.2E-5 IRIS, 1991

IURF details

Tier 1 Source: IRIS: Basis: IRIS is the only available value. IRIS IURF = 2.2E-5 per µg/m3. Per IRIS (4/1/1991), the IUR was calculated from the oral exposure data as noted in the oral cancer slope factor section. See IRIS oral CSF section for details.

Complete


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Tier 2 Sources: PPRTV: Per PPRTV, 07/13/2007, the carcinogenicity assessment, which includes an oral slope factor and inhalation unit risk, is on IRIS (U.S. EPA, 1991). MRL: NA, MRLs are developed for non-cancer effects only. Tier 3 Source: MDEQ: AQD uses the same value as IRIS. Calculation date: 02/27/1995.

Mutagenic Mode of Action (MMOA)? (Y/N)

-- No USEPA, 2015

MMOA Details --

Developmental or Reproductive Effector? (Y/N)

No

No

MDEQ, 2015

Developmental or Reproductive Toxicity Details

No, the RfD is not based on a reproductive-developmental effect.

State Drinking Water Standard (SDWS) (µg/L)

NA NO SDWA, 1976

SDWS details MI Safe Drinking Water Act (SDWA) 1976 PA 399

Secondary Maximum Contaminant Level (SMCL) (µg/L)

NA NO SDWA, 1976 and USEPA SMCL List

SMCL details MI Safe Drinking Water Act (SDWA) 1976 PA 399 and USEPA SMCL List, 2015

Is there an aesthetic value for drinking water? (Y/N)

No Not evaluated. NA

Aesthetic value NA NA


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details

Phytotoxicity Value? (Y/N) No Not evaluated. NA

Phytotoxicity details NA NA

Others:


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(C) Chemical-specific Absorption Factors Part 201 Value Update Source/Reference/

Dates Comments/Notes

/Issues Gastrointestinal absorption efficiency value (ABSgi)

--- 1.0

MDEQ,

2015/USEPA RAGS-E, 2004

ABSgi details RAGS E (USEPA, 2004) Default Value

Skin absorption efficiency value (AEd)

--- 0.1 MDEQ, 2015

AEd details

Ingestion Absorption Efficiency (AEi)

1.0 MDEQ, 2015

AEi Details

Relative Source Contribution for Water (RSCW)

0.2 MDEQ, 2015

Relative Source Contribution for Soil (RSCS)

1.0 MDEQ, 2015

Relative Source Contribution for Air (RSCA)

1.0 MDEQ, 2015

Others


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(D) Rule 57 Water Quality Values and GSI Criteria Current GSI value (g/L) 0.053

Updated GSI value (g/L) 0.053

Rule 57 Drinking Water Value (g/L) 0.093

Rule 57 Value

(g/L) Verification Date

Human Non-cancer Values- Drinking water source (HNV-drink) 0.093 4/1997

Human Non-Cancer Values- Non-drinking water sources (HNV-Non-drink) 0.098 4/1997

Wildlife Value (WV) 0.053 6/1999

Human Cancer Values for Drinking Water Source (HCV-drink) 0.33 4/1997

Human Cancer values for non-drinking water source (HCV-Non-drink) 0.35 4/1997

Final Chronic Value (FCV) 1 4/1999

Aquatic maximum value (AMV) 7 4/1999

Final Acute Value (FAV) 15 4/1999

Sources: 1. MDEQ Surface Water Assessment Section Rule 57 website 2. MDEQ Rule 57 table

http://www.michigan.gov/deq/0,1607,7-135-3313_3686_3728-11383--,00.html

http://www.michigan.gov/documents/deq/wb-swas-rule57_210455_7.xls


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(E) Target Detection Limits (TDL) Value Source

Target Detection Limit – Soil (g/kg) 50 MDEQ, 2015

Target Detection Limit – Water (g/L) 0.05 MDEQ, 2015

Target Detection Limit – Air (ppbv) 1.10E-01 MDEQ, 2015

Target Detection Limit – Soil Gas (ppbv) 3.70E+00 MDEQ, 2015


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CHEMICAL UPDATE WORKSHEET ABBREVIATIONS: CAS # - Chemical Abstract Service Number. Section (A) Chemical-Physical Properties Reference Source(s): CRC Chemical Rubber Company Handbook of Chemistry

and Physics, 95th edition, 2014-2015 EMSOFT USEPA Exposure Model for Soil-Organic Fate and

Transport (EMSOFT) (EPA, 2002) EPA2001 USEPA (2001) Fact Sheet, Correcting the Henry’s

Law Constant for Soil Temperature. Office of Solid Waste and Emergency Response, Washington, D.C.

EPA4 USEPA (2004) User’s Guide for Evaluating Subsurface Vapor Intrusion into Buildings. February 22, 2004.

EPI USEPA’s Estimation Programs Interface SUITE 4.1, Copyright 2000-2012

HSDB Hazardous Substances Data Bank MDEQ Michigan Department of Environmental Quality NPG National Institute for Occupational Safety and

Health Pocket Guide to Chemical Hazards PC National Center for Biotechnology Information’s

PubChem database PP Syracuse Research Corporation’s PhysProp database SCDM USEPA’s Superfund Chemical Data Matrix SSG USEPA’s Soil Screening Guidance: Technical

Background Document, Second Edition, 1996 USEPA/EPA United States environmental protection agency’s

Risk Assessment Guidance for Superfund Volume I: Human Health Evaluation Manual (Part E, Supplemental Guidance for Dermal Risk Assessment). July, 2004.

W9 USEPA’s User Guide for Water9 Software, Version 2.0.0, 2001

Basis/Comments: EST estimated EXP experimental EXT extrapolated NA not available or not applicable NR not relevant Section (B) Toxicity Values/Benchmarks Sources/References: ATSDR Agency for Toxic Substances and Disease Registry CALEPA California Environmental Protection Agency CAL DTSC California Department of Toxic Substances Control CAL OEHHA CAEPA Office of Environmental Health Hazard

Assessment CCD MDEQ Chemical Criteria Database ECHA European Chemicals Agency (REACH) OECD HPV Organization for Economic Cooperation and

Development HPV Database HEAST USEPA’s Health Effects Assessment Summary Tables IRIS USEPA’s Integrated Risk Information System MADEP Massachusetts Department of Environmental

Protection MDEQ/DEQ Michigan Department of Environmental Quality DEQ-CCD/AQD MDEQ Air Quality Division DEQ-CCD/RRD MDEQ Remediation and Redevelopment Division DEQ-CCD/WRD MDEQ Water Resources Division MNDOH Minnesota Department of Health


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NJDEP New Jersey Department of Environmental Protection

NYDEC New York State Department of Environmental Conservation

OPP/OPPT USEPA’s Office of Pesticide Programs PPRTV USEPA’s Provisional Peer Reviewed Toxicity Values RIVM The Netherlands National Institute of Public Health

and the Environment TCEQ Texas Commission on Environmental Quality USEPA United States Environmental Protection Agency USEPA OSWER USEPA Office of Solid Waste and Emergency

Response USEPA MCL USEPA Maximum Contaminant Level WHO World Health Organization WHO IPCS International Programme on Chemical Safety

(IPCS/INCHEM) WHO IARC International Agency for Research on Cancers NA Not Available. NR Not Relevant. Toxicity terms: BMC Benchmark concentration BMCL Lower bound confidence limit on the BMC BMD benchmark dose BMDL Lower bound confidence limit on the BMD CSF Cancer slope Factor CNS Central nervous system IURF or IUR Inhalation unit risk factor LOAEL Lowest observed adverse effect level LOEL Lowest observed effect level MRL Minimal risk level (ATSDR) NOAEL No observed adverse effect level NOEL No observed effect level

RfC Reference concentration RfD Reference dose p-RfD Provisional RfD aRfD Acute RfD UF Uncertainty factor WOE Weight of evidence Section (C) Chemical-specific Absorption Factors MDEQ Michigan Department of Environmental Quality USEPA RAGS-E United States Environmental Protection Agency’s

Risk Assessment Guidance for Superfund Volume I: Human Health Evaluation Manual (Part E, Supplemental Guidance for Dermal Risk Assessment). July, 2004.

Section (D) Rule 57 Water Quality Values and GSI Criteria GSI Groundwater-surface water interface NA A value is not available or not applicable. ID Insufficient data to derive value NLS No literature search has been conducted

chemical update worksheet - michigan...source: pprtv, 07/13/2007 tier 1 and 2 sources: iris: the rfd...

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