CHEMICAL UPDATE WORKSHEET...CHEMICAL UPDATE WORKSHEET Chemical Name: t-Butyl alcohol CAS #: 75-65-0 Revised By: RRD Toxicology Unit Revision Date: September 16, 2015 (A) Chemical-Physical

CHEMICAL UPDATE WORKSHEET

Chemical Name: t-Butyl alcohol CAS #: 75-65-0 Revised By: RRD Toxicology Unit

Revision Date: September 16, 2015

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

Molecular Weight (g/mol) 74.12 74.12 EPI EXP

Physical State at ambient temp Liquid Solid MDEQ

Melting Point (˚C) --- 25.40 EPI EXP

Boiling Point (˚C) 82.35 82.40 EPI EXP

Solubility (ug/L) 1.0E+9 1E+09 EPI EXP

Vapor Pressure (mmHg at 25˚C) 41.67 4.07E+01 EPI EXP

HLC (atm-m³/mol at 25˚C) 1.17E-5 9.05E-06 EPI EXP

Log Kow (log P; octanol-water) 0.35 0.35 EPI EXP

Koc (organic carbon; L/Kg) 2.27 2.111 EPI EST

Ionizing Koc (L/kg) NR NA NA

Diffusivity in Air (Di; cm2/s) 0.08 8.90E-02 W9 EST

Diffusivity in Water (Dw; cm2/s) 8.0E-6 9.9416E-06 W9 EST

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

CHEMICAL UPDATE WORKSHEET t-Butyl alcohol (75-65-0)

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Part 201 Value Updated Value Reference Source Comments

Flash Point (˚C) 52 F 11 CRC EXP

Lower Explosivity Level (LEL; unitless) 0.024 0.024 CRC EXP

Critical Temperature (K) NA NA NA

Enthalpy of Vaporization (cal/mol) 9.34E+03 HSDB EXP

Density (g/mL, g/cm3) 0.7887 CRC EXP

EMSOFT Flux Residential 2 m (mg/day/cm2) 7.08E-06 2.10E-05 EMSOFT EST

EMSOFT Flux Residential 5 m (mg/day/cm2) 7.08E-06 3.20E-05 EMSOFT EST

EMSOFT Flux Nonresidential 2 m (mg/day/cm2) 8.44E-06 3.09E-05 EMSOFT EST

EMSOFT Flux Nonresidential 5 m (mg/day/cm2) 8.44E-06 4.20E-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) 5.4E-1 1.8E-1 MADEP, 2009

RfD details

2-year drinking water study in

mice; LOAEL = 535 mg/kg/day; UF =

1000; Critical effect = follicular

cell hyperplasia of the thyroid gland

(NTP, 1995). CCD/RRD date:

5/17/1995

Tier 3 Source: MADEP: Basis: Massachusetts (2009) DEP assessment used the same study (NTP, 1995; Cirvello et al., 1995) and uncertainty factors (UFs) as MDEQ; however, the LOAEL and critical effect differs. The MADEP LOAEL of 175 mg/kg/day for nephropathy is adopted as this effect appears to be more sensitive than hyperplasia of the thyroid gland (LOAEL = 535 mg/kg/day). Texas (2001) and ECHA (REACH) values are also based on the NTP study but the endpoints and UF values differ. See details below. Tier 1 and 2 Sources: IRIS: No IRIS file is available at this time. PPRTV: No PPRTV record is available at this time MRL: No MRL record is available at this time. Tier 3 Sources: MDEQ: Per DEQ-CCD/RRD (1995), RfD = 5.4E-1 mg/kg-day. Critical Study (ies): Toxicology and Carcinogenesis Studies of t -Butyl Alcohol (CAS No. 75-65-0) in F344/N Rats and B6C3F1 Mice (Drinking Water Studies). Natl Toxicol Program Tech Rep Ser. 1995 May;436:1-305; ALSO Cirvello, J. D.; Radovsky, A.; Heath, J. E.; Farnell, D. R., and Lindamood, C. 3rd. Toxicity and carcinogenicity of t-butyl alcohol in rats and mice following chronic exposure in drinking water. Toxicol Ind Health. 1995 Mar-1995 Apr 30; 11(2):151-65.NTP (National Toxicology Program). May 1995. Method(s): In a 2 yr. drinking water bioassay, rats and mice were exposed to 0, 1.25, 2.5, 5 mg/ml and 0, 5, 10, and 20 mg/ml, respectively Critical effect(s): follicular cell hyperplasia of the thyroid gland End point or Point of Departure (POD): LOAEL = 535 mg/kg-day Uncertainty Factors: UF = 1,000 (10 each for intraspecies variability, interspecies

Complete


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Part 201 Value Updated Value Source/Reference/Date

Comments/Notes/Issues

extrapolation, and use of a LOAEL) Source and date: MDEQ-CCD/RRD, 5/17/1995 Massachusetts DEP: RfD= 0.175 (1.8E-1) mg/kg/day. Key Study: NTP, 1995; Cirvello et al., 1995 Cirvello, J. D.; Radovsky, A.; Heath, J. E.; Farnell, D. R., and Lindamood, C. 3rd. Toxicity and carcinogenicity of t-butyl alcohol in rats and mice following chronic exposure in drinking water. Toxicol Ind Health. 1995 Mar-1995 Apr 30; 11(2):151-65.NTP (National Toxicology Program). May 1995. Methods: 2-year chronic drinking water study; Rats and mice (60/dose) were exposed to 0, 1250, 2500 or 5000 ppm (male rats); 0, 2500, 5000 or 10,000 ppm (female rats); and 1, 5000, 10,000, or 20,000 ppm (male and female mice). LOAEL: 2500 ppm in female rats; this concentration results in a dose of approximately 175 mg/kg/day (Cirvello et al., 1995).) Critical effect: nephropathy Uncertainty Factors: 1000 (10 = LOAEL to NOAEL; 10 = intraspecies; 10 = interspecies) Source: MassDEP, 2006. March 27, 2006. Drinking Water Guideline for Tertiary Butyl Alcohol (TBA). Office of Research and Standards (ORS).

New Jersey DEP: RfD= 0.018 (1.8E-2) mg/kg-day Source: NJDEP Toxicity Factors for Tertiary Butyl Alcohol, 2008. Details on the derivation are not available in this document. The document notes that Reference Doses for Group C chemicals are shown with uncertainty factor of 10 for possible carcinogenicity included. This chemical is a Group C carcinogen.

Texas CEQ: RfD= 9.0E-02 mg/kg-day: Key Study: Toxicology & Carcinogenesis Studies of t-Butyl Alcohol in F344/N Rats and B6C3F1 Mice (Drinking water Studies). Methods: F344/N rats (60/sex/dose) were given 0, 1.25, 2.5, or 5 mg/mL t-butyl alcohol (males) or 0, 2.5, 5, or 10 mg/mL t-butyl alcohol (females) in drinking water for 2 years. These correspond to average daily doses of approximately 90,


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200, or 420 mg t-butyl alcohol/kg body weight for males and approximately 180, 330, or 650 mg t-butyl alcohol/kg body weight for females. Ten rats per group were evaluated after 15 months of chemical administration. Groups of 60 male and 60 female B6C3F1 mice were given 0, 5, 10, or 20 mg/mL t-butyl alcohol in drinking water for 2 years. Exposure levels of 5, 10, or 20 mg/mL delivered average daily doses of approximately 540, 1,040, or 2,070 mg t-butyl alcohol/kg body weight to males and approximately 510, 1,020, or 2,110 mg/kg to females. Critical effects: mineralization and renal tubule hyperplasia in male rats, transitional epithelial hyperplasia and increased severity of nephropathy of the kidney in male and female rats, follicular cell hyperplasia of the thyroid gland in male and female mice, and chronic inflammation and hyperplasia of the urinary bladder in male mice and to a lesser extent in female mice. Endpoint: NOAEL = 90 mg/kg-day Uncertainty Factors: 1,000 (10 each for interspecies extrapolation, interspecies extrapolation, and database deficiencies) Source: TCEQ Communication, 2/20/2001 assessment

ECHA (REACH): Derived No Effect Level (DNEL) = 0.3 (3.0E-1) mg/kg/day: Key study: Lindamood III, C. et al. 1992. Subchronic Toxicity Studies of t-Butyl Alcohol in Rats and Mice. Fundamental and Applied Toxicology 19: 91-100 Methods: 2-year chronic toxicity study; F344/N male rats (60/dose) were exposed to 0, 1.25, 2.5 and 5 mg/mL tertiary butyl alcohol in drinking water for 103 weeks; approximately 90, 200 or 420 mg/kg-day. F344/N female rats (60/dose) were exposed to dose levels of 0, 2.5, 5 and 10 mg/mL. LOAEL: 1.25 mg/ml (90 mg/kg-day) Critical effect: increased linear papillary mineralization in the kidneys of male rats; chronic progressive nephropathy in female rats Dose descriptor starting point: LOAEL - 90 mg/kg-day Critical effect: increased linear papillary mineralization in the kidneys of male rats Overall assessment factor (AF): 300 AF for dose response relationship - 3 (use of a LOAEC) AF for interspecies differences (allometric scaling) - 4


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AF for other interspecies differences - 2.5 AF for interspecies differences - 10 AF for the quality of the whole database – 1; the quality of the database is adequate. Source: ECHA REACH Database. Dossier on 2-methylpropan-2-ol (accessed on 9/2015) Other Tier 3: No value is available at this time from these Tier 3 sources/databases: HEAST, NTP ROC, health and environmental agencies of California, Minnesota and New York, WHO (IARC), WHO (IPCS/INCHEM), Canada, The Netherlands (RIVM) and OECD HPV.

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

-- NA MDEQ, 2015

CSF details NA

Tier 1 and 2 Sources: IRIS: No IRIS file is available at this time. PPRTV: No PPRTV record is available at this time. MRL: NA; MRLs are for non-cancer effects only. Tier 3 Source: MDEQ: Per DEQ-CCD, no value at this time.

Complete

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

1.89E+3 7.2E+1 MDEQ, 2015/ECHA

RfC/ITSL details

Please note: Although this

chemical caused thyroid follicular cell adenomas

and carcinomas, it

Tier 3 Source: ECHA (REACH): Basis: The ECHA value is based on a LOAEC of 72.5 mg/m³ from an inhalation subchronic study (NTP, 1997) and a total assessment factor (uncertainty factor) of 150. MDEQ adopted this LOAEC and applied a total uncertainty factor of 1000 (10 for use of LOAEC and subchronic exposure, 10 for interspecies extrapolation and

Complete


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is considered a threshold

carcinogen by the Scientific Advisory

Board-EPA. A threshold based approach (RfD)

was used to develop an ITSL

for this compound,

instead of an IRSL. In a 2 yr. drinking water bioassay, rats and mice

were exposed to 0, 1.25, 2.5, 5

mg/ml and 0, 5, 10, and 20 mg/ml, respectively. The critical effect for this compound

was thyroid follicular cell

hyperplasia in male mice at a LOAEL of 535

mg/kg/day (adjusted average

daily dose). Uncertainty

factors =1000; the

10 for intraspecies variability) to derive a RfC of 7.2E-2 mg/m³ or 7.2E+1 µg/m3. MDEQ (2015) value is based on an extrapolated oral toxicity value. See details below. Tier 1 and 2 Sources: IRIS: No IRIS file is available at this time. PPRTV: No PPRTV record is available at this time MRL: No MRL record is available at this time. Tier 3 Sources: MDEQ: Per DEQ-CCD/RRD (1995), ITSL = 1.89E+3 µg/m3, annual averaging time. Basis: ITSL was based on oral RfD = 0.54 mg/kg-day. The EPA Scientific Advisory Board considers t-butyl alcohol a threshold carcinogen. As a result, a threshold (RfD)-based approach was used to develop an ITSL. Critical Study (ies): Toxicology and Carcinogenesis Studies of t -Butyl Alcohol (CAS No. 75-65-0) in F344/N Rats and B6C3F1 Mice (Drinking Water Studies). Natl Toxicol Program Tech Rep Ser. 1995 May;436:1-305 Method(s): In a 2 yr. drinking water bioassay, rats and mice (60/sex/group) were exposed to 0, 1.25, 2.5, 5 mg/ml and 0, 5, 10, and 20 mg/ml, respectively. Doses equated to 535, 1,035, and 2, 065 mg/kg for males and 510, 1,015, and 2,105 mg/kg for female mice. Doses are 85, 195, 420 mg/kg for males and 175, 330, 650 mg/kg for female rats. There was some evidence of cancer in female mice thyroid gland (follicular cell adenomas) and some evidence of cancer in male rats. Please note: This chemical caused thyroid follicular cell adenomas and carcinomas, but is considered a threshold carcinogen by the Scientific Advisory Board-EPA. A threshold based approach (RfD) was used to develop an ITSL for this compound, instead of an IRSL. Critical effect(s): increased incidences of follicular cell adenoma of the thyroid gland. End point or Point of Departure (POD): LOAEL = 535 mg/kg/day Uncertainty Factors: UF = 1,000 (10 each for intraspecies variability, interspecies extrapolation, and use of a LOAEL).


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RfD = 0.54 mg/kg/day which results in an ITSL

of 1890 ug/m3 (24 hr. averaging). Per AQD, the

combined impact of t-butyl acetate

and t-butanol must be evaluated

together so that the hazard index

does not exceed a value of one.

AQD calculation date: 4/15/1998.

Source and date: MDEQ-CCD/AQD, 4/15/1998 New Jersey DEP: RfC= 63 µg/m³: Source: NJDEP Toxicity Factors for Tertiary Butyl Alcohol, 2008. Value is derived by NJDEP. Details on the derivation are not available in this document.

ECHA (REACH): Derived No Effect Level (DNEL) = 0.5 mg/m³ (5.0E+2 µg/m³) Key study: Lindamood III, C. et al. 1992. Subchronic Toxicity Studies of t-Butyl Alcohol in Rats and Mice. Fundamental and Applied Toxicology 19: 91-100 Methods: 2-year chronic toxicity study; F344/N male rats (60/dose) were exposed to 0, 1.25, 2.5 and 5 mg/mLtertiary butyl alcohol in drinking water for 103 weeks; approximately 90, 200 or 420 mg/kg-day. F344/N female rats (60/dose) were exposed to dose levels of 0, 2.5, 5 and 10 mg/mL. LOAEL: 1.25 mg/ml (90 mg/kg-day) Critical effect: increased linear papillary mineralization in the kidneys of male rats; chronic progressive nephropathy in female rats Dose descriptor starting point: LOAEL - 90 mg/kg-day Critical effect: increased linear papillary mineralization in the kidneys of male rats Overall assessment factor (AF): 300 AF for dose response relationship - 3 (use of a LOAEC) AF for interspecies differences (allometric scaling) - 4 AF for other interspecies differences - 2.5 AF for interspecies differences - 10 AF for the quality of the whole database – 1; the quality of the database is adequate. Source: ECHA REACH Database. Dossier on 2-methylpropan-2-ol (accessed on 9/2015) Other Tier 3: No value is available at this time from these Tier 3 sources/databases: HEAST, NTP ROC, health and environmental agencies of California, Massachusetts, Minnesota, New York, and Texas, WHO (IARC), WHO (IPCS/INCHEM), Canada, The Netherlands (RIVM) and OECD HPV.


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

-- NA MDEQ, 2015

IURF details NA

Tier 1 and 2 Sources: IRIS: No IRIS file is available at this time. PPRTV: No PPRTV record is available at this time. MRL: NA; MRLs are for non-cancer effects only. Tier 3 Source: MDEQ: Per DEQ-CCD, no value at this time.

Complete

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

-- NO USEPA, 2015

MMOA Details -- NA

Not listed as a carcinogen with mutagenic MOA in the USEPA OSWER List.

Developmental or Reproductive Effector? (Y/N)

No No, the RfD or RfC/ITSL is not based on a reproductive-developmental effect.

MDEQ, 2015

Developmental or Reproductive Toxicity Details

NA NA

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

-- NO SDWA, 1976

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

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

-- NO SDWA, 1976 and USEPA SMCL List

SMCL details NA 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


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Aesthetic value (ug/L) NA NA NA

Aesthetic Value details NA NA

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

Phytotoxicity details NA NA NA

Others


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(C) Chemical-specific Exposure 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/USEPA RAGS-E, 2004

AEd details

RAGS E (USEPA, 2004): There is no default value assigned for inorganics because the speciation of the compound is critical

to the dermal absorption and there are too little data to extrapolate a reasonable default value.

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) NA

Updated GSI value (g/L) NA

Rule 57 Drinking Water Value (g/L) NA

Rule 57 Value

(g/L) Verification Date

Human Non-cancer Values- Drinking water source (HNV-drink)

Human Non-Cancer Values- Non-drinking water sources (HNV-Non-drink)

Wildlife Value (WV)

Human Cancer Values for Drinking Water Source (HCV-drink)

Human Cancer values for non-drinking water source (HCV-Non-drink)

Final Chronic Value (FCV)

Aquatic maximum value (AMV)

Final Acute Value (FAV)

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) Analytical Information Value Source

Target Detection Limit – Soil (g/kg) 2,500 MDEQ, 2015

Target Detection Limit – Water (g/L) 50 MDEQ, 2015

Target Detection Limit – Air (ppbv) NA MDEQ, 2015

Target Detection Limit – Soil Gas (ppbv) NA 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

Documents

CHEMICAL UPDATE WORKSHEET...CHEMICAL UPDATE WORKSHEET Chemical Name: t-Butyl alcohol CAS #: 75-65-0 Revised By: RRD Toxicology Unit Revision Date: September 16, 2015 (A) Chemical-Physical