3-巯基-3-甲基-1-丁基 乙酸酯，CAS 登记号 50746-09-3，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 50746-09-3; molecular formula C7H14O2S; molecular weight 162.07 g/mol.
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.
Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.
1.1% of GHS notifications report no hazard classification (1 of 91).
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.