乙酰乙酸苄酯(CAS 5396-89-4):分子式 C11H12O3、分子量 192.21。
| CAS号 | 5396-89-4 |
|---|---|
| 分子式 | C11H12O3 |
| 分子量 | 192.21 |
| 熔点 | 162.00 to 164.00 °C. @ 16.00 mm Hg |
| 沸点 | 156.00 to 159.00 °C. @ 10.00 mm Hg |
| LogP | 1.8 |
乙酰乙酸苄酯 是一种化工化合物,登记 CAS 号为 5396-89-4,分子式 C11H12O3(分子量 192.21)。
登记 CAS 号:5396-89-4
其分子式 C11H12O3 由 11 个碳、12 个氢、3 个氧 组成。
别名/同义词:乙酰乙酸苄酯 · Benzyl acetoacetate
乙酰乙酸苄酯 的 CAS 登记号为 5396-89-4。
分子式 C11H12O3,分子量 192.21。
别名/同义词:乙酰乙酸苄酯、Benzyl acetoacetate。
乙酰乙酸苄酯(CAS 5396-89-4)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 5396-89-4 |
|---|---|
| PubChem CID | 142266 |
| Molecular formula | C11H12O3 |
| IUPAC name | benzyl 3-oxobutanoate |
| UNII (FDA) | F9S0XGV18X |
| FEMA number | 2136 |
| JECFA number | 848 |
| Molecular Weight | 192.21 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.078644241 |
| Monoisotopic Mass | 192.078644241 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 14 |
| Boiling Point | 156.00 to 159.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 249 °C |
| Melting Point | 162.00 to 164.00 °C. @ 16.00 mm Hg |
| Density | 1.112-1.120 |
| Refractive Index | 1.498-1.520 |
Benzyl acetoacetate; Benzyl 3-oxobutanoate; 5396-89-4; Acetoacetic acid benzyl ester; Benzyl acetylacetate; Acetoacetic acid, benzyl ester; Phenylmethyl 3-oxobutanoate; Butanoic acid, 3-oxo-, phenylmethyl ester; AC-benzyl; Benzyl beta-ketobutyrate; FEMA No. 2136; UNII-F9S0XGV18X; NSC 4391; F9S0XGV18X; NSC-4391; EINECS 226-416-4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 58.4% (174 / 298) |
| GHS notification summary | 58.4% (174 / 298) |
|---|---|
| Reported hazard statements | H412 (38.9%) |
This chemical does not meet GHS hazard criteria for 58.4% (174 of 298) of all reports.
H412 (38.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Benzyl acetoacetate · CAS 5396-89-4 · C11H12O3. UNII F9S0XGV18X. Boiling Point: 156.00 to 159.00 °C. @ 10.00 mm Hg; Boiling Point: 249 °C; Melting Point: 162.00 to 164.00 °C. @ 16.00 mm Hg.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Benzyl acetoacetate