1-巯基-2-丙酮（CAS 24653-75-6）：分子式 C3H6OS、分子量 90.15。
| CAS号 | 24653-75-6 |
|---|---|
| 分子式 | C3H6OS |
| 分子量 | 90.15 |
| 熔点 | 112 - 114 °C |
| 沸点 | 47.00 to 49.00 °C. @ 19.00 mm Hg |
| LogP | 0.3 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
1-巯基-2-丙酮 是一种化工化合物，登记 CAS 号为 24653-75-6，分子式 C3H6OS（分子量 90.15）。
登记 CAS 号：24653-75-6
其分子式 C3H6OS 由 3 个碳、6 个氢、1 个氧、1 个硫 组成。
别名/同义词：1-巯基-2-丙酮 · 1-Mercapto-2-propanone
1-巯基-2-丙酮 的 CAS 登记号为 24653-75-6。
分子式 C3H6OS，分子量 90.15。
别名/同义词：1-巯基-2-丙酮、1-Mercapto-2-propanone。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
1-巯基-2-丙酮（CAS 24653-75-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 24653-75-6 |
|---|---|
| PubChem CID | 520144 |
| Molecular formula | C3H6OS |
| Molecular weight | 90.01 g/mol |
| IUPAC name | 1-sulfanylpropan-2-one |
| InChIKey | USVCRBGYQRVTNK-UHFFFAOYSA-N |
| UNII (FDA) | YAZ3C89IVG |
| ChEBI ID | CHEBI:89835 |
| FEMA number | 3856 |
| JECFA number | 557 |
| Molecular Weight | 90.15 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 90.01393598 |
| Monoisotopic Mass | 90.01393598 |
| Topological Polar Surface Area | 18.1 |
| Heavy Atom Count | 5 |
| Boiling Point | 47.00 to 49.00 °C. @ 19.00 mm Hg |
|---|---|
| Boiling Point | 47-49 °C (19 mm Hg) |
| Melting Point | 112 - 114 °C |
| Density | 0.817-0.847 |
| Refractive Index | 1.455-1.465 |
1-Mercapto-2-propanone; 1-sulfanylpropan-2-one; Mercaptoacetone; 24653-75-6; 2-Propanone, 1-mercapto-; YAZ3C89IVG; 2-PROPANONE, MERCAPTO-; 3-MERCAPTO-2-PROPANONE; FEMA NO. 3856; DTXSID50179396; 1-MERCAPTO-2-PROPANONE [FHFI]; RefChem:433421; DTXCID80101887; 639-011-6; 1-Sulfanylacetone; mercapto-2-propanone
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 |
|---|---|
| GHS notification summary | 60.9% (78 / 128) |
| GHS notification summary | 60.9% (78 / 128) |
|---|---|
| Reported hazard statements | H302 (30.5%), H319 (38.3%) |
This chemical does not meet GHS hazard criteria for 60.9% (78 of 128) of all reports.
H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]
1-Mercapto-2-propanone is identified by CAS 24653-75-6, molecular formula C3H6OS and molecular weight 90.01 g/mol. UNII YAZ3C89IVG; ChEBI 89835; InChIKey USVCRBGYQRVTNK-UHFFFAOYSA-N. Boiling Point: 47.00 to 49.00 °C. @ 19.00 mm Hg; Boiling Point: 47-49 °C (19 mm Hg); Melting Point: 112 - 114 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1-Mercapto-2-propanone