Introduction：Basic information about CAS 2396-68-1|4-tert-Butylbenzenethiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-tert-Butylbenzenethiol |
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| CAS Number | 2396-68-1 | Molecular Weight | 166.283 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 230.5±19.0 °C at 760 mmHg |
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| Molecular Formula | C10H14S | Melting Point | -11 °C |
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| MSDS | Chinese | Flash Point | 96.9±8.5 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 4-tert-butylbenzenethiol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 230.5±19.0 °C at 760 mmHg |
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| Melting Point | -11 °C |
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| Molecular Formula | C10H14S |
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| Molecular Weight | 166.283 |
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| Flash Point | 96.9±8.5 °C |
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| Exact Mass | 166.081619 |
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| PSA | 38.80000 |
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| LogP | 4.21 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.538 |
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| InChIKey | GNXBFFHXJDZGEK-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)c1ccc(S)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DC1025000
- CHEMICAL NAME :
- Benzenethiol, p-tert-butyl-
- CAS REGISTRY NUMBER :
- 2396-68-1
- BEILSTEIN REFERENCE NO. :
- 0606476
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H14-S
- MOLECULAR WEIGHT :
- 166.30
- WISWESSER LINE NOTATION :
- SHR DX1&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00454
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | UN 3334 |
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| WGK Germany | 3 |
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| RTECS | DC1025000 |
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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
| 4-tert-Butylbenzenethiol |
| EINECS 219-255-6 |
| 4-(2-Methyl-2-propanyl)benzenethiol |
| 4-(1,1-dimethylethyl)benzenethiol |
| p-tert-Butylphenyl mercaptan |
| p-tert-Butylbenzenethiol |
| 4-tert-butylphenylthiol |
| Benzenethiol,p-tert-butyl |
| Benzenethiol,p-tert-butylthio |
| 4-t-Butylthiophenol |
| 4-tert-Butylthiophenol |
| 4-(1,1-dimethylethyl)thiophenol |
| 4-(tert-butyl)benzenethiol |
| Benzenethiol, 4-(1,1-dimethylethyl)- |
| MFCD00022067 |
| 4-(tert-butyl)benzene-1-thiol |
| Benzenethiol,4-(1,1-dimethylethyl) |
| p-tert-Butylthiophenol |
