3-Methylthio-2-butanone (CAS 53475-15-3) — formula C5H10OS, molecular weight 118.20; category organic chemicals.
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
3-Methylthio-2-butanone is a carbon-based organic compound with CAS registry number 53475-15-3 and molecular formula C5H10OS (molecular weight 118.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53475-15-3
Its molecular formula C5H10OS comprises 5 C, 10 H, 1 O, 1 S atoms.
Also known as: 3-Methylthio-2-butanone · DL-3-(Methylthio)butanone
Category: organic chemicals
The CAS registry number of 3-Methylthio-2-butanone is 53475-15-3.
Molecular formula C5H10OS, molecular weight 118.20.
It is also registered under: 3-Methylthio-2-butanone, DL-3-(Methylthio)butanone.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Public-database records for 3-Methylthio-2-butanone (CAS 53475-15-3), reproduced here for independent cross-checking.
| Reported hazard statements | H226 (100%) |
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H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 147.00 to 178.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 50-54 °C (20 mm Hg) |
| 密度 | 0.975-0.979 |
| 折射率 | 1.469-1.471 |
| CAS Registry Number | 53475-15-3 |
|---|---|
| PubChem CID | 103788 |
| 分子式 | C5H10OS |
| IUPAC 名称 | 3-methylsulfanylbutan-2-one |
| UNII（FDA） | 9B48E0787W |
| FEMA 编号 | 4181 |
| JECFA 编号 | 1688 |
3-Methylthio-2-butanone; 53475-15-3; 3-(Methylthio)-2-butanone; 2-Butanone, 3-(methylthio)-; DL-3-(Methylthio)butanone; 3-(methylsulfanyl)butan-2-one; EINECS 258-576-6; 9B48E0787W; dextro,laevo-3-(methyl thio) butanone; 3-(METHYLTHIO)BUTANONE; FEMA NO. 4181; DTXSID80866343; 3-(METHYLTHIO)-2-BUTANONE [FHFI]; RefChem:495590; DTXCID10814635; (+-)-3-(METHYLTHIO)-2-BUTANONE
| 分子量 | 118.20 |
|---|---|
| XLogP3 | 1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 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 |
3-Methylthio-2-butanone · CAS 53475-15-3 · C5H10OS. UNII 9B48E0787W. 沸点: 147.00 to 178.00 °C. @ 760.00 mm Hg; 沸点: 50-54 °C (20 mm Hg); 密度: 0.975-0.979.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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