3-Mercapto-3-methyl-1-butyl acetate (CAS 50746-09-3) — formula C7H14O2S, molecular weight 162.07 g/mol; category food flavors.
3-Mercapto-3-methyl-1-butyl acetate (CAS 50746-09-3) is a chemical raw material in the food flavors category. Its molecular formula C7H14O2S comprises 7 C, 14 H, 2 O, 1 S atoms. Its molecular weight is about 162.07 g/mol. Reported physicochemical data: boiling point around 69.00 °C. @ 6.00 mm Hg, LogP about 1.4. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 50746-09-3 |
|---|---|
| Molecular Formula | C7H14O2S |
| Molecular Weight | 162.07 g/mol |
| Boiling Point | 69.00 °C. @ 6.00 mm Hg |
| LogP | 1.4 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
3-Mercapto-3-methyl-1-butyl acetate is a flavoring compound with CAS registry number 50746-09-3 and molecular formula C7H14O2S (molecular weight 162.07 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 50746-09-3
Its molecular formula C7H14O2S comprises 7 C, 14 H, 2 O, 1 S atoms.
Also known as: 3-Mercapto-3-methyl-1-butyl acetate · 3-巯基-3-甲基-1-丁基 乙酸酯
Category: food flavors
The CAS registry number of 3-Mercapto-3-methyl-1-butyl acetate is 50746-09-3.
Molecular formula C7H14O2S, molecular weight 162.07 g/mol.
It is also registered under: 3-Mercapto-3-methyl-1-butyl acetate, 3-巯基-3-甲基-1-丁基 乙酸酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-Mercapto-3-methyl-1-butyl acetate (CAS 50746-09-3), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基-3-甲基-1-丁基 乙酸酯