3-METHYL-2-BUTEN-1-YL THIOLACETATE (CAS 33049-93-3) — formula C7H12OS, molecular weight 144.24; category organic chemicals.
| CAS Number | 33049-93-3 |
|---|---|
| Molecular Formula | C7H12OS |
| Molecular Weight | 144.24 |
| Boiling Point | 67.00 to 68.00 °C. @ 760.00 mm Hg |
| LogP | 2.2 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
3-METHYL-2-BUTEN-1-YL THIOLACETATE is a carbon-based organic compound with CAS registry number 33049-93-3 and molecular formula C7H12OS (molecular weight 144.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33049-93-3
Its molecular formula C7H12OS comprises 7 C, 12 H, 1 O, 1 S atoms.
Also known as: 3-METHYL-2-BUTEN-1-YL THIOLACETATE · S-(3-甲基丁-2-烯-1-基) 硫代乙酸酯
Category: organic chemicals
The CAS registry number of 3-METHYL-2-BUTEN-1-YL THIOLACETATE is 33049-93-3.
Molecular formula C7H12OS, molecular weight 144.24.
It is also registered under: 3-METHYL-2-BUTEN-1-YL THIOLACETATE, S-(3-甲基丁-2-烯-1-基) 硫代乙酸酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for 3-METHYL-2-BUTEN-1-YL THIOLACETATE (CAS 33049-93-3), compiled from public chemistry databases.
| CAS 号 | 33049-93-3 |
|---|---|
| PubChem CID | 3084571 |
| 分子式 | C7H12OS |
| IUPAC 名称 | S-(3-methylbut-2-enyl) ethanethioate |
| UNII（FDA） | 8UI6K2036L |
| FEMA 编号 | 3895 |
| JECFA 编号 | 491 |
| Molecular Weight | 144.24 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 144.06088618 |
| Monoisotopic Mass | 144.06088618 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 9 |
| Boiling Point | 67.00 to 68.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 67-68 °C |
| Density | 0.964-0.969 |
| Refractive Index | 1.492-1.497 |
Prenyl thioacetate; 33049-93-3; S-prenyl thioacetate; 3-Methyl-2-butenyl acetothioate; 8UI6K2036L; Ethanethioic acid, S-(3-methyl-2-butenyl) ester; FEMA NO. 3895; PRENYL THIOACETATE [FHFI]; DTXSID80186710; ETHANETHIOIC ACID, S-(3-METHYL-2-BUTEN-1-YL) ESTER; ACETIC ACID, THIO-, S-(3-METHYL-2-BUTENYL) ESTER; RefChem:868482; DTXCID20109201; 639-094-9; S-(3-methylbut-2-en-1-yl) ethanethioate; S-(3-methylbut-2-enyl) ethanethioate
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 |
|---|---|
| GHS 通报统计 | 89.6% (103 / 115) |
| GHS 通报统计 | 89.6% (103 / 115) |
|---|---|
| 已通报的危害声明 | H226 (10.4%) |
S-(3-甲基丁-2-烯-1-基) 硫代乙酸酯 · CAS 33049-93-3 · C7H12OS. UNII 8UI6K2036L. Boiling Point: 67.00 to 68.00 °C. @ 760.00 mm Hg; Boiling Point: 67-68 °C; Density: 0.964-0.969.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: S-(3-甲基丁-2-烯-1-基) 硫代乙酸酯