(S)-3-羟基丁酸乙酯(CAS 56816-01-4):分子式 C6H12O3、分子量 132.16。
| CAS号 | 56816-01-4 |
|---|---|
| 分子式 | C6H12O3 |
| 分子量 | 132.16 |
| 沸点 | 338 °F at 760 mmHg (NTP, 1992) |
| LogP | 0.2 |
(S)-3-羟基丁酸乙酯 是一种化工化合物,登记 CAS 号为 56816-01-4,分子式 C6H12O3(分子量 132.16)。
登记 CAS 号:56816-01-4
其分子式 C6H12O3 由 6 个碳、12 个氢、3 个氧 组成。
别名/同义词:(S)-3-羟基丁酸乙酯 · Ethyl (S)-3-hydroxybutyrate
(S)-3-羟基丁酸乙酯 的 CAS 登记号为 56816-01-4。
分子式 C6H12O3,分子量 132.16。
别名/同义词:(S)-3-羟基丁酸乙酯、Ethyl (S)-3-hydroxybutyrate。
(S)-3-羟基丁酸乙酯(CAS 56816-01-4)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 56816-01-4 |
|---|---|
| PubChem CID | 62572 |
| Molecular formula | C6H12O3 |
| IUPAC name | ethyl 3-hydroxybutanoate |
| UNII (FDA) | 52008C87PV |
| 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 (S)-3-hydroxybutyrate · CAS 56816-01-4 · C6H12O3. UNII 52008C87PV. 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 (S)-3-hydroxybutyrate