Introduction：Basic information about CAS 141-59-3|2,4,4-trimethylpentane-2-thiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4,4-trimethylpentane-2-thiol |
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| CAS Number | 141-59-3 | Molecular Weight | 146.29400 |
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| Density | 0.837g/cm3 | Boiling Point | 150.2ºC at 760mmHg |
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| Molecular Formula | C8H18S | Melting Point | -74.15°C |
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| MSDS | / | Flash Point | 34.6ºC |
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Names
| Name | 2,4,4-trimethylpentane-2-thiol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.837g/cm3 |
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| Boiling Point | 150.2ºC at 760mmHg |
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| Melting Point | -74.15°C |
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| Molecular Formula | C8H18S |
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| Molecular Weight | 146.29400 |
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| Flash Point | 34.6ºC |
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| Exact Mass | 146.11300 |
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| PSA | 38.80000 |
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| LogP | 3.13100 |
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| Vapour Pressure | 4.95mmHg at 25°C |
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| Index of Refraction | 1.449 |
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| InChIKey | QZLAEIZEPJAELS-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)CC(C)(C)S |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA3260000
- CHEMICAL NAME :
- 2-Pentanethiol, 2,4,4-trimethyl-
- CAS REGISTRY NUMBER :
- 141-59-3
- BEILSTEIN REFERENCE NO. :
- 1732867
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-H18-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 17800 ug/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: -,984,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 60300 ug/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: -,984,1986
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Safety Information
| RIDADR | UN 3023 |
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| Packaging Group | I |
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| Hazard Class | 6.1(a) |
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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
| MFCD00014450 |
| 2-Pentanethiol,2,4,4-trimethyl |
| terc. Oktanthiol [Czech] |
| T-OCTYL MERCAPTAN |
| isooctanethiol |
| tert-Octanethiol |
| 2,4,4-Trimethyl-2-pentanethiol |
| tert-Octyl mercaptan |
| tert-octylthiol |
| 2,4,4-Trimethyl-pentan-2-thiol |
| 1,1,3,3-tetramethylbutyl mercaptan |
| EINECS 205-490-1 |
| 2,4,4-trimethyl-pentane-2-thiol |
