乙酰乙酸苄酯，CAS 登记号 5396-89-4，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 5396-89-4; molecular formula C11H12O3; molecular weight — g/mol.
Benzyl acetoacetate, Benzyl 3-oxobutanoate, 5396-89-4, Acetoacetic acid benzyl ester, Benzyl acetylacetate, Acetoacetic acid, benzyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
58.4% of GHS notifications report no hazard classification (174 of 298).
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.