4-巯基-4-甲基-2-戊酮（CAS 19872-52-7）：分子式 C6H12OS、分子量 132.23。
| CAS号 | 19872-52-7 |
|---|---|
| 分子式 | C6H12OS |
| 分子量 | 132.23 |
| 沸点 | 47-49 °C (15 mm Hg) |
| LogP | 0.8 |
4-巯基-4-甲基-2-戊酮 是一种化工化合物，登记 CAS 号为 19872-52-7，分子式 C6H12OS（分子量 132.23）。
登记 CAS 号：19872-52-7
其分子式 C6H12OS 由 6 个碳、12 个氢、1 个氧、1 个硫 组成。
别名/同义词：4-巯基-4-甲基-2-戊酮 · 4-mercapto-4-methylpentan-2-one · 4-Methyl-4-mercapto-pentan-2-one · 4-Mercapto-4-methyl-2-pentanone
4-巯基-4-甲基-2-戊酮 的 CAS 登记号为 19872-52-7。
分子式 C6H12OS，分子量 132.23。
别名/同义词：4-巯基-4-甲基-2-戊酮、4-mercapto-4-methylpentan-2-one、4-Methyl-4-mercapto-pentan-2-one、4-Mercapto-4-methyl-2-pentanone。
4-巯基-4-甲基-2-戊酮（CAS 19872-52-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 19872-52-7 |
|---|---|
| PubChem CID | 88290 |
| Molecular formula | C6H12OS |
| Molecular weight | 132.06 g/mol |
| IUPAC name | 4-methyl-4-sulfanylpentan-2-one |
| InChIKey | QRNZMFDCKKEPSX-UHFFFAOYSA-N |
| UNII (FDA) | 9524RG5ZQL |
| ChEBI ID | CHEBI:77856 |
| FEMA number | 3997 |
| JECFA number | 1293 |
| Molecular Weight | 132.23 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.06088618 |
| Monoisotopic Mass | 132.06088618 |
| Topological Polar Surface Area | 18.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 47-49 °C (15 mm Hg) |
|---|---|
| Density | 1.032-1.037 |
| Refractive Index | 1.431-1.437 |
19872-52-7; 4-Mercapto-4-methyl-2-pentanone; 4-Mercapto-4-methylpentan-2-one; 4-methyl-4-sulfanylpentan-2-one; 2-Pentanone, 4-mercapto-4-methyl-; 4-methyl-4-mercapto-2-pentanone; 9524RG5ZQL; DTXSID8051839; FEMA NO. 3997; CHEBI:77856; 2-MERCAPTO-2-METHYLPENTAN-4-ONE; RefChem:524398; DTXCID3030395; 243-386-8; 4-Methyl-4-mercaptopentan-2-one; 4-Methyl-4-thiolpentan-2-one
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Box Tree, Cat, Citrus, Meat No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 71.2% (116 / 163) |
| GHS notification summary | 71.2% (116 / 163) |
|---|---|
| Reported hazard statements | H226 (28.8%), H315 (24.5%), H319 (27.6%), H335 (27%) |
This chemical does not meet GHS hazard criteria for 71.2% (116 of 163) of all reports.
H226 (28.8%): Flammable liquid and vapor [Warning Flammable liquids]
4-Mercapto-4-methyl-2-pentanone is identified by CAS 19872-52-7, molecular formula C6H12OS and molecular weight 132.06 g/mol. UNII 9524RG5ZQL; ChEBI 77856; InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N. Boiling Point: 47-49 °C (15 mm Hg); Density: 1.032-1.037; Refractive Index: 1.431-1.437.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-mercapto-4-methylpentan-2-one