CAS 96-69-5|4,4-Thiobis(6-t-butyl-m-cresol)

Introduction：Basic information about CAS 96-69-5|4,4-Thiobis(6-t-butyl-m-cresol), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	4,4-Thiobis(6-t-butyl-m-cresol)
CAS Number	96-69-5	Molecular Weight	358.537
Density	1.1±0.1 g/cm3	Boiling Point	475.6±45.0 °C at 760 mmHg
Molecular Formula	C₂₂H₃₀O₂S	Melting Point	160-165 °C
MSDS	/	Flash Point	230.7±27.4 °C

Names

Name	4,4'-Thiobis(6-tert-butyl-m-cresol)
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	475.6±45.0 °C at 760 mmHg
Melting Point	160-165 °C
Molecular Formula	C₂₂H₃₀O₂S
Molecular Weight	358.537
Flash Point	230.7±27.4 °C
Exact Mass	358.196655
PSA	65.76000
LogP	7.63
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.595
InChIKey	HXIQYSLFEXIOAV-UHFFFAOYSA-N
SMILES	Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
Water Solubility	<0.01 g/100 mL at 18 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GP3150000

CHEMICAL NAME :: m-Cresol, 4,4'-thiobis(6-tert-butyl-

CAS REGISTRY NUMBER :: 96-69-5

BEILSTEIN REFERENCE NO. :: 1147776

LAST UPDATED :: 199712

DATA ITEMS CITED :: 30

MOLECULAR FORMULA :: C22-H30-O2-S

MOLECULAR WEIGHT :: 358.58

WISWESSER LINE NOTATION :: 1X1&1&R BQ D1 ESR DQ B1 EX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2345 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5475 mg/kg/15D-C

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in leukocyte (WBC) count

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-435,1994

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15015 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Blood - normocytic anemia Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-435,1994

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1400 mg/kg/14D-I

TOXIC EFFECTS :: Liver - changes in liver weight Endocrine - changes in spleen weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 10,691,1988

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5915 mg/kg/13W-C

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-435,1994 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 10 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 15 mg/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Gen Indu):8H TWA 5 mg/m3, respirable fraction CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 15 mg/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Construc):8H TWA 5 mg/m3, respirable fraction CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 15 mg/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Shipyard):8H TWA 5 mg/m3, respirable fraction CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FRANCE:TWA 10 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 10 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 10 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg/m3;STEL 20 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg/m3;STEL 20 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 4,4'-THIOBIS(6-t-BUTYL-m-CRESOL), dust-air:TWA 10 mg/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 4,4'-THIOBIS(6-t-BUTYL-m-CRESOL)-air:10H TWA 5 mg/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84755 No. of Facilities: 4402 (estimated) No. of Industries: 51 No. of Occupations: 47 No. of Employees: 36695 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84755 No. of Facilities: 1286 (estimated) No. of Industries: 10 No. of Occupations: 11 No. of Employees: 12349 (estimated) No. of Female Employees: 2177 (estimated)

Safety Information

Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S37/39-S26
RTECS	GP3150000
HS Code	29309070

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

m-Cresol, 4,4'-thiobis[6-tert-butyl-

yoshinoxs

nocrac300

4,4-Thiobis(6-t-butyl-m-cresol)

USAF B-15

santonoxbm

5-tert-butyl-4-hydroxy-2-methylphenylsulfide

Rutenol

4,4-Thiob

Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-

4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol]

MFCD00026287

Santonox

nonflexbps

Thanox300

4,4'-Sulfanediylbis(2-tert-butyl-5-methylphenol)

EINECS 202-525-2

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