3-羟基丁酸乙酯（CAS 5405-41-4）：分子式 C6H12O3、分子量 132.16。
| CAS号 | 5405-41-4 |
|---|---|
| 分子式 | C6H12O3 |
| 分子量 | 132.16 |
| 沸点 | 338 °F at 760 mmHg (NTP, 1992) |
| LogP | 0.2 |
3-羟基丁酸乙酯 是一种化工化合物，登记 CAS 号为 5405-41-4，分子式 C6H12O3（分子量 132.16）。
登记 CAS 号：5405-41-4
其分子式 C6H12O3 由 6 个碳、12 个氢、3 个氧 组成。
别名/同义词：3-羟基丁酸乙酯 · ethyl 3-hydroxybutyrate
3-羟基丁酸乙酯 的 CAS 登记号为 5405-41-4。
分子式 C6H12O3，分子量 132.16。
别名/同义词：3-羟基丁酸乙酯、ethyl 3-hydroxybutyrate。
3-羟基丁酸乙酯（CAS 5405-41-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 5405-41-4 |
|---|---|
| PubChem CID | 62572 |
| Molecular formula | C6H12O3 |
| Molecular weight | 132.08 g/mol |
| IUPAC name | ethyl 3-hydroxybutanoate |
| InChIKey | OMSUIQOIVADKIM-UHFFFAOYSA-N |
| UNII (FDA) | 52008C87PV |
| ChEBI ID | CHEBI:87685 |
| FEMA number | 3428 |
| JECFA number | 594 |
| Molecular Weight | 132.16 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.078644241 |
| Monoisotopic Mass | 132.078644241 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 9 |
| Boiling Point | 338 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 170.00 to 175.00 °C. @ 760.00 mm Hg |
| Boiling Point | 170 °C; 67 °C (4 mm Hg) |
| Flash Point | 148 °F (NTP, 1992) |
| Density | 1.010-1.017 |
| Refractive Index | 1.416-1.424 |
Ethyl 3-hydroxybutyrate; Ethyl 3-hydroxybutanoate; 5405-41-4; Ethyl beta-hydroxybutyrate; Butanoic acid, 3-hydroxy-, ethyl ester; Ethyl dl-3-hydroxybutyrate; FEMA No. 3428; Butyric acid, 3-hydroxy-, ethyl ester; Ethyl (1)-3-hydroxybutyrate; DTXSID6025305; 3-hydroxybutyric acid ethyl ester; NSC-8115; NSC-42916; 52008C87PV; DTXCID105305; CHEBI:87685
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Marshmallow, Roasted Nut No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 4% (66 / 1638) |
| GHS notification summary | 4% (66 / 1638) |
|---|---|
| Reported hazard statements | H226 (96%), H227 |
This chemical does not meet GHS hazard criteria for 4% (66 of 1638) of reports.
H226 (96%): Flammable liquid and vapor [Warning Flammable liquids]
ethyl 3-hydroxybutyrate is identified by CAS 5405-41-4, molecular formula C6H12O3 and molecular weight 132.08 g/mol. UNII 52008C87PV; ChEBI 87685; InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N. Boiling Point: 338 °F at 760 mmHg (NTP, 1992); Boiling Point: 170.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 170 °C; 67 °C (4 mm Hg).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ethyl 3-hydroxybutyrate