Benzyl acetoacetate (CAS 5396-89-4) — formula C11H12O3, molecular weight 192.21; category organic chemicals.
| CAS Number | 5396-89-4 |
|---|---|
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.21 |
| Melting Point | 162.00 to 164.00 °C. @ 16.00 mm Hg |
| Boiling Point | 156.00 to 159.00 °C. @ 10.00 mm Hg |
| LogP | 1.8 |
| Category | Organic Chemicals |
Benzyl acetoacetate is a carbon-based organic compound with CAS registry number 5396-89-4 and molecular formula C11H12O3 (molecular weight 192.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5396-89-4
Its molecular formula C11H12O3 comprises 11 C, 12 H, 3 O atoms.
Also known as: Benzyl acetoacetate · 乙酰乙酸苄酯
Category: organic chemicals
The CAS registry number of Benzyl acetoacetate is 5396-89-4.
Molecular formula C11H12O3, molecular weight 192.21.
It is also registered under: Benzyl acetoacetate, 乙酰乙酸苄酯.
Category: Organic Chemicals.
Independent reference data for Benzyl acetoacetate (CAS 5396-89-4), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰乙酸苄酯