3-Methylthio-2-butanone（CAS 53475-15-3）：分子式 C5H10OS、分子量 118.20；类别 有机化学品。
| CAS号 | 53475-15-3 |
|---|---|
| 分子式 | C5H10OS |
| 分子量 | 118.20 |
| 沸点 | 147.00 to 178.00 °C. @ 760.00 mm Hg |
| LogP | 1 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
| 类别 | Organic Chemicals |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3-Methylthio-2-butanone 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 53475-15-3，分子式 C5H10OS（分子量 118.20），归属于有机化学品大类化工原料。
登记 CAS 号：53475-15-3
其分子式 C5H10OS 由 5 个碳、10 个氢、1 个氧、1 个硫 组成。
别名/同义词：3-Methylthio-2-butanone · DL-3-(Methylthio)butanone
所属分类：有机化学品
3-Methylthio-2-butanone 的 CAS 登记号为 53475-15-3。
分子式 C5H10OS，分子量 118.20。
别名/同义词：3-Methylthio-2-butanone、DL-3-(Methylthio)butanone。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
所属分类：Organic Chemicals。
3-Methylthio-2-butanone（CAS 53475-15-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 53475-15-3 |
|---|---|
| PubChem CID | 103788 |
| Molecular formula | C5H10OS |
| IUPAC name | 3-methylsulfanylbutan-2-one |
| UNII (FDA) | 9B48E0787W |
| FEMA number | 4181 |
| JECFA number | 1688 |
| Molecular Weight | 118.20 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 118.04523611 |
| Monoisotopic Mass | 118.04523611 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 7 |
| Boiling Point | 147.00 to 178.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 50-54 °C (20 mm Hg) |
| Density | 0.975-0.979 |
| Refractive Index | 1.469-1.471 |
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
| 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 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
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)
3-Methylthio-2-butanone · CAS 53475-15-3 · C5H10OS. UNII 9B48E0787W. Boiling Point: 147.00 to 178.00 °C. @ 760.00 mm Hg; Boiling Point: 50-54 °C (20 mm Hg); Density: 0.975-0.979.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Methylthio-2-butanone