Introduction：Basic information about CAS 40789-98-8|UNII:99G79565PJ, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | UNII:99G79565PJ |
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| CAS Number | 40789-98-8 | Molecular Weight | 104.171 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 140.0±23.0 °C at 760 mmHg |
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| Molecular Formula | C4H8OS | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 38.5±22.6 °C |
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| Symbol |
GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | 3-Mercapto-2-butanone |
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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 | 140.0±23.0 °C at 760 mmHg |
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| Molecular Formula | C4H8OS |
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| Molecular Weight | 104.171 |
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| Flash Point | 38.5±22.6 °C |
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| Exact Mass | 104.029587 |
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| PSA | 55.87000 |
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| LogP | 0.67 |
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| Vapour Pressure | 6.2±0.3 mmHg at 25°C |
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| Index of Refraction | 1.449 |
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| InChIKey | XLMPYCGSRHSSSX-UHFFFAOYSA-N |
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| SMILES | CC(=O)C(C)S |
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| Storage condition | Refrigerator |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EL9050000
- CHEMICAL NAME :
- 2-Butanone, 3-mercapto-
- CAS REGISTRY NUMBER :
- 40789-98-8
- BEILSTEIN REFERENCE NO. :
- 1737689
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C4-H8-O-S
- MOLECULAR WEIGHT :
- 104.18
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 21,461,1986
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi |
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| Risk Phrases | R10 |
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| Safety Phrases | S26-S36 |
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| RIDADR | UN 1993 3/PG 2 |
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| WGK Germany | 3 |
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| RTECS | EL9050000 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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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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Articles1
More Articles
| Mosciano, G. Perfum. Flavor. 5th ed., 26 , 70, (2001)
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Synonyms
| MFCD00085206 |
| 3-Sulfanyl-2-butanone |
| 3-Mercapto-2-butanone |
| EINECS 255-082-2 |
| UNII:99G79565PJ |
| 3-Sulfanylbutan-2-one |
| 2-Butanone, 3-mercapto- |
