S-methyl butanethioate (CAS 2432-51-1) — formula C5H10OS, molecular weight 118.20; category organic chemicals.
S-methyl butanethioate is a carbon-based organic compound with CAS registry number 2432-51-1 and molecular formula C5H10OS (molecular weight 118.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2432-51-1
Its molecular formula C5H10OS comprises 5 C, 10 H, 1 O, 1 S atoms.
Also known as: S-methyl butanethioate · Methyl Thiobutyrate
Category: organic chemicals
The CAS registry number of S-methyl butanethioate is 2432-51-1.
Molecular formula C5H10OS, molecular weight 118.20.
It is also registered under: S-methyl butanethioate, Methyl Thiobutyrate.
Category: Organic Chemicals.
Public-database records for S-methyl butanethioate (CAS 2432-51-1), reproduced here for independent cross-checking.
| 已通报的危害声明 | H226 (100%) |
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| 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 Cabbage, Cheese, Garlic, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 142.00 to 143.00 °C. @ 757.00 mm Hg |
|---|---|
| 沸点 | 140-143 °C; 38-40v (12 mm Hg) |
| 密度 | 0.960-0.975 |
| 折射率 | 1.457-1.469 |
| CAS 号 | 2432-51-1 |
|---|---|
| PubChem CID | 62444 |
| 分子式 | C5H10OS |
| 分子量 | 118.05 g/mol |
| IUPAC 名称 | S-methyl butanethioate |
| InChIKey | GRLJIIJNZJVMGP-UHFFFAOYSA-N |
| UNII（FDA） | 2P1E432MYZ |
| ChEBI 编号 | CHEBI:89255 |
| FEMA 编号 | 3310 |
| JECFA 编号 | 484 |
Methyl thiobutyrate; 2432-51-1; S-Methyl butanethioate; BUTANETHIOIC ACID, S-METHYL ESTER; Methanethiol butyrate; Methyl thiolbutyrate; Butyric acid, thio-, S-methyl ester; FEMA No. 3310; 1-(methylsulfanyl)butan-1-one; 2P1E432MYZ; RefChem:818099; 219-407-1; S-Methyl thiobutyrate; s-Methyl thiobutanoate; Methanethiol n-butyrate; MFCD00009872
| 分子量 | 118.20 |
|---|---|
| XLogP3 | 1.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 118.04523611 |
| 单同位素质量 | 118.04523611 |
| 拓扑极性表面积 | 42.4 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
硫代丁酸甲酯 的 CAS 号为 2432-51-1，分子式 C5H10OS，分子量 118.05 g/mol。 UNII 2P1E432MYZ; ChEBI 89255; InChIKey GRLJIIJNZJVMGP-UHFFFAOYSA-N. 沸点: 142.00 to 143.00 °C. @ 757.00 mm Hg; 沸点: 140-143 °C; 38-40v (12 mm Hg); 密度: 0.960-0.975.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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