CAS Number19872-52-7
Synonyms4-Mercapto-4-methyl-2-pentanone; 2-Pentanone,4-mercapto-4-methyl; EINECS 243-386-8; 2-Mercapto-2-methylpentan-4-one; 4-Mercapto-4-methyl-pentan-2-on; MFCD00085208; 4-Methyl-4-sulfanylpentan-2-one; 4-Methyl-4-thiolpentan-2-one; 4-mercapto-4-methyl-pentan-2-one; 4-Mercapto-4-methylpentan-2-one; 4-sulfanyl-4-methylpentan-2-one; 4-methyl-4-mercapto-2-pentanone; SHX1&1&1V1; 4-Methyl-4-sulfanyl-2-pentanone
Molecular FormulaC6H12OS
Molecular Weight132.22
Purity≥99%
Density1.0±0.1 g/cm3
Boiling Point181.7±23.0 °C at 760 mmHg
AppearanceLiquid;Colorless to Light yellow clear liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 19872-52-7 |
| Catalog No. | 2A-9038245 |
| Chinese Name | 4-甲基-4-巯基-2-戊酮 |
| Synonyms | 4-Mercapto-4-methyl-2-pentanone; 2-Pentanone,4-mercapto-4-methyl; EINECS 243-386-8; 2-Mercapto-2-methylpentan-4-one; 4-Mercapto-4-methyl-pentan-2-on; MFCD00085208; 4-Methyl-4-sulfanylpentan-2-one; 4-Methyl-4-thiolpentan-2-one; 4-mercapto-4-methyl-pentan-2-one; 4-Mercapto-4-methylpentan-2-one; 4-sulfanyl-4-methylpentan-2-one; 4-methyl-4-mercapto-2-pentanone; SHX1&1&1V1; 4-Methyl-4-sulfanyl-2-pentanone |
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.22 |
| Purity | ≥99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 181.7±23.0 °C at 760 mmHg |
| Appearance | Liquid;Colorless to Light yellow clear liquid |
| Storage Condition | Store under inert gas; avoid air |
| HTC | 2930909090 |
| MDL Number | MFCD00085208 |
| SMILES | CC(=O)CC(C)(C)S |
| InChI | 1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChI Key | QRNZMFDCKKEPSX-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352105 |
| MSDS | msds/38245_1_19872_52_7.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point: Melting point:No data Flash point:No data Molecular formula: C6H12OS Molecular weight: 132.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, sulfur oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Proper shipping name: MERCAPTANS, LIQUID, FLAMMABLE, N.O.S. OR MERCAPTAN MIXTURE, LIQUID, FLAMMABLE N.O.S. (4-Mercapto-4-methylpentan-2-one) Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xn Safety Phrases 26 HS Code 2930909090 Synthetic Route Mesityl oxide 2-Mercapto-2-me... 19872-52-7 Literature: Kotseridis, Yorgos; Ray, Jean-Loic; Augier, Christian; Baumes, Raymond Journal of Agricultural and Food Chemistry, 2000 , vol. 48, # 12 p. 5819 - 5823 2,4,4-Trimethyl... 123265-62-3 2-Mercapto-2-me... 19872-52-7 Literature: Angewandte Chemie, , vol. 101, # 11 p. 1546 2-Mercapto-2-me... 19872-52-7 Literature: Journal of Agricultural and Food Chemistry, , vol. 45, # 8 p. 3022 - 3026 Precursor & DownStream Precursor 9 CAS#:141-79-7 Mesityl oxide CAS#:67-64-1 CAS#:110-89-4 Piperidine CAS#:121-44-8 Triethylamine DownStream 1 CAS#:50461-99-9 4-methyl-4-phen... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2930909090. other organo-sulfur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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