4-巯基-2-戊酮（CAS 92585-08-5）：分子式 C5H10OS、分子量 118.20。
| CAS号 | 92585-08-5 |
|---|---|
| 分子式 | C5H10OS |
| 分子量 | 118.20 |
| 沸点 | 258-260 °C |
| LogP | 0.6 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
4-巯基-2-戊酮 是一种化工化合物，登记 CAS 号为 92585-08-5，分子式 C5H10OS（分子量 118.20）。
登记 CAS 号：92585-08-5
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：4-巯基-2-戊酮 · 4-Mercapto-2-pentanone
4-巯基-2-戊酮 的 CAS 登记号为 92585-08-5。
分子式 C5H10OS，分子量 118.20。
别名/同义词：4-巯基-2-戊酮、4-Mercapto-2-pentanone。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
4-巯基-2-戊酮（CAS 92585-08-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 92585-08-5 |
|---|---|
| PubChem CID | 527393 |
| Molecular formula | C5H10OS |
| Molecular weight | 118.05 g/mol |
| IUPAC name | 4-sulfanylpentan-2-one |
| InChIKey | KHIPEWLRUGVKIC-UHFFFAOYSA-N |
| UNII (FDA) | 8646NA32I8 |
| ChEBI ID | CHEBI:173441 |
| FEMA number | 4157 |
| JECFA number | 1670 |
| Molecular Weight | 118.20 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 118.04523611 |
| Monoisotopic Mass | 118.04523611 |
| Topological Polar Surface Area | 18.1 |
| Heavy Atom Count | 7 |
| Boiling Point | 258-260 °C |
|---|
4-MERCAPTO-2-PENTANONE; 4-Mercaptopentan-2-one; 92585-08-5; 2-Pentanone, 4-mercapto-; 2-Mercapto-4-pentanone; FEMA no. 4157; 4-Mercapto-2-pentanone 1% in acetoin; 4-Mercapto-2-pentanone [FHFI]; 8646NA32I8; RefChem:524395; (+-)-4-MERCAPTO-2-PENTANONE; 4-MERCAPTO-2-PENTANONE, (+-)-; 639-235-4; 4-sulfanylpentan-2-one; 4-Mercaptopentan-2-ol; (+/-)-4-Mercapto-2-pentanone
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Greenery, Potato No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
4-Mercapto-2-pentanone is identified by CAS 92585-08-5, molecular formula C5H10OS and molecular weight 118.05 g/mol. UNII 8646NA32I8; ChEBI 173441; InChIKey KHIPEWLRUGVKIC-UHFFFAOYSA-N. Boiling Point: 258-260 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-Mercapto-2-pentanone