3-巯基-3-甲基-1-丁基 乙酸酯（CAS 50746-09-3）：分子式 C7H14O2S、分子量 162.25。
| CAS号 | 50746-09-3 |
|---|---|
| 分子式 | C7H14O2S |
| 分子量 | 162.25 |
| 沸点 | 69.00 °C. @ 6.00 mm Hg |
| LogP | 1.4 |
3-巯基-3-甲基-1-丁基 乙酸酯 是一种化工化合物，登记 CAS 号为 50746-09-3，分子式 C7H14O2S（分子量 162.25）。
登记 CAS 号：50746-09-3
其分子式 C7H14O2S 由 7 个碳、14 个氢、2 个氧、1 个硫 组成。
别名/同义词：3-巯基-3-甲基-1-丁基 乙酸酯 · 3-Mercapto-3-methyl-1-butyl acetate
3-巯基-3-甲基-1-丁基 乙酸酯 的 CAS 登记号为 50746-09-3。
分子式 C7H14O2S，分子量 162.25。
别名/同义词：3-巯基-3-甲基-1-丁基 乙酸酯、3-Mercapto-3-methyl-1-butyl acetate。
3-巯基-3-甲基-1-丁基 乙酸酯（CAS 50746-09-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 50746-09-3 |
|---|---|
| PubChem CID | 6420388 |
| Molecular formula | C7H14O2S |
| Molecular weight | 162.07 g/mol |
| IUPAC name | (3-methyl-3-sulfanylbutyl) acetate |
| InChIKey | HEZWKNVLHZGPOE-UHFFFAOYSA-N |
| UNII (FDA) | 8A69461ME8 |
| ChEBI ID | CHEBI:182977 |
| FEMA number | 4324 |
| JECFA number | 1706 |
| Molecular Weight | 162.25 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 162.07145086 |
| Monoisotopic Mass | 162.07145086 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 69.00 °C. @ 6.00 mm Hg |
|---|---|
| Boiling Point | 69 °C (6 mm Hg) |
| Density | 1.003-1.007 |
| Refractive Index | 1.455-1.456 |
3-Mercapto-3-methyl-1-butyl acetate; 3-Methyl-3-sulfanylbutyl acetate; 50746-09-3; 3-MERCAPTO-3-METHYLBUTYL ACETATE; FEMA no. 4324; 1-Butanol, 3-mercapto-3-methyl-, 1-acetate; 8A69461ME8; DTXSID50198789; RefChem:94539; 3-M-3MBA; DTXCID60121280; 639-610-2; (3-methyl-3-sulfanylbutyl) acetate; UNII-8A69461ME8; 3-Mercapto-3-methyl-1-butyl acetate [FHFI]; Acetic acid, 3-mercapto-3-methylbutyl ester
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Pepper, Vinegar No safety concern at current levels of intake when used as a flavouring agent TRS 947-JECFA68/ |
|---|---|
| GHS notification summary | 1.1% (1 / 91) |
| GHS notification summary | 1.1% (1 / 91) |
|---|---|
| Reported hazard statements | H301 (13.2%), H315 (86.8%), H317 (13.2%), H319 (86.8%), H335 (86.8%) |
This chemical does not meet GHS hazard criteria for 1.1% (1 of 91) of reports.
H301 (13.2%): Toxic if swallowed [Danger Acute toxicity, oral]
3-Mercapto-3-methyl-1-butyl acetate is identified by CAS 50746-09-3, molecular formula C7H14O2S and molecular weight 162.07 g/mol. UNII 8A69461ME8; ChEBI 182977; InChIKey HEZWKNVLHZGPOE-UHFFFAOYSA-N. Boiling Point: 69.00 °C. @ 6.00 mm Hg; Boiling Point: 69 °C (6 mm Hg); Density: 1.003-1.007.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Mercapto-3-methyl-1-butyl acetate