Introduction:Basic information about CAS 96-66-2|4,4'-Thio-bis(2-methyl-6-tert-butylphenol), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,4'-Thio-bis(2-methyl-6-tert-butylphenol) |
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| CAS Number | 96-66-2 | Molecular Weight | 358.53700 |
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| Density | 1.11g/cm3 | Boiling Point | 316 °C/40 mmHg(lit.) |
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| Molecular Formula | C22H30O2S | Melting Point | 127°C |
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| MSDS | / | Flash Point | 241 °C |
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Names
| Name | 4,4'-Thiobis(6-tert-butyl-o-cresol) |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.11g/cm3 |
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| Boiling Point | 316 °C/40 mmHg(lit.) |
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| Melting Point | 127°C |
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| Molecular Formula | C22H30O2S |
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| Molecular Weight | 358.53700 |
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| Flash Point | 241 °C |
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| Exact Mass | 358.19700 |
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| PSA | 65.76000 |
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| LogP | 6.46080 |
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| Index of Refraction | 1.594 |
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| InChIKey | YFHKLSPMRRWLKI-UHFFFAOYSA-N |
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| SMILES | Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GP3200000
- CHEMICAL NAME :
- o-Cresol, 4,4'-thiobis(6-t-butyl-
- CAS REGISTRY NUMBER :
- 96-66-2
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C22-H30-O2-S
- MOLECULAR WEIGHT :
- 358.58
- WISWESSER LINE NOTATION :
- 1X1&1&R BQ C1 ESR DQ C1 DX1&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6340 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1007,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 6340 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RCTEA4 Rubber Chemistry and Technology. (American Chemical Soc., Rubber Division, c/o Mrs. M.E. Bauer, Univ. of Akron, Akron, OH 44325) V.1- 1928- Volume(issue)/page/year: 45,627,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2390 No. of Facilities: 964 (estimated) No. of Industries: 7 No. of Occupations: 20 No. of Employees: 10399 (estimated) No. of Female Employees: 746 (estimated)
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36/37/39-S37/39 |
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| RTECS | GP3200000 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| EINECS 202-522-6 |
| MFCD00008823 |
| 4,4'-Thiobis(2-methyl-6-tert-butylphenol) |