甲硫基2-(丙酰氧基)丙酸酯(CAS 827024-53-3):分子式 C7H12O3S、分子量 176.24。
| CAS号 | 827024-53-3 |
|---|---|
| 分子式 | C7H12O3S |
| 分子量 | 176.24 |
| 沸点 | 76 °C (4.5 mm Hg) |
| LogP | 1.4 |
甲硫基2-(丙酰氧基)丙酸酯 是一种化工化合物,登记 CAS 号为 827024-53-3,分子式 C7H12O3S(分子量 176.24)。
登记 CAS 号:827024-53-3
其分子式 C7H12O3S 由 7 个碳、12 个氢、3 个氧、1 个硫 组成。
别名/同义词:甲硫基2-(丙酰氧基)丙酸酯 · Methylthio 2-(propionyloxy) propionate
甲硫基2-(丙酰氧基)丙酸酯 的 CAS 登记号为 827024-53-3。
分子式 C7H12O3S,分子量 176.24。
别名/同义词:甲硫基2-(丙酰氧基)丙酸酯、Methylthio 2-(propionyloxy) propionate。
甲硫基2-(丙酰氧基)丙酸酯(CAS 827024-53-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 827024-53-3 |
|---|---|
| PubChem CID | 20831779 |
| Molecular formula | C7H12O3S |
| Molecular weight | 176.05 g/mol |
| IUPAC name | (1-methylsulfanyl-1-oxopropan-2-yl) propanoate |
| InChIKey | VCLWCQBHEOFVMO-UHFFFAOYSA-N |
| UNII (FDA) | 0VG9JPO6J5 |
| ChEBI ID | CHEBI:173480 |
| JECFA number | 493 |
| Molecular Weight | 176.24 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 176.05071541 |
| Monoisotopic Mass | 176.05071541 |
| Topological Polar Surface Area | 68.7 |
| Heavy Atom Count | 11 |
| Boiling Point | 76 °C (4.5 mm Hg) |
|---|---|
| Density | 1.096-1.100 (20 °C) |
| Refractive Index | 1.464-1.474 |
FEMA No. 3790; Methylthio 2-(propionyloxy) propionate; Propionyllactic acid thiomethyl ester; Methyl thiopropionyl oxypropionate; 0VG9JPO6J5; 827024-53-3; S-Methyl 2-(propionyloxy)propanethioate; Propanethioic acid, 2-(1-oxopropoxy)-, S-methyl ester; Methylthio 2-(propionyloxy) propionate [FHFI]; RefChem:818710; UNII-0VG9JPO6J5; Methylthio 2-(propanoyloxy)propanoate; SCHEMBL28578717; FEMA 3790; CHEBI:173480; S-Methyl-2-(propionyloxy)propanethioate
| Regulatory & Food Contact | FLAVOURING_AGENT: Flavouring Agent Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 FAS 44-JECFA 53/125 |
|---|
Methylthio 2-(propionyloxy) propionate is identified by CAS 827024-53-3, molecular formula C7H12O3S and molecular weight 176.05 g/mol. UNII 0VG9JPO6J5; ChEBI 173480; InChIKey VCLWCQBHEOFVMO-UHFFFAOYSA-N. Boiling Point: 76 °C (4.5 mm Hg); Density: 1.096-1.100 (20 °C); Refractive Index: 1.464-1.474.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Methylthio 2-(propionyloxy) propionate