Basic information
- Name:
Ethyl benzoyl acetate
- Superlist Name:
- Ethyl benzoylacetate
- CAS No.:
94-02-0
- Molecular Structure:
- Formula:
- C11H12O3
- Molecular Weight:
- 192.23
- Synonyms:
- Aceticacid, benzoyl-, ethyl ester (6CI,7CI,8CI);1-Ethoxy-3-phenylpropane-1,3-dione;3-Oxo-3-phenylpropanoic acid ethyl ester;3-Oxo-3-phenylpropionic acid ethylester;3-Phenyl-3-oxopropanoic acid ethyl ester;Benzoylacetic acid ethylester;Ethyl 2-benzoylacetate;Ethyl 3-oxo-3-phenylpropanoate;Ethyl3-oxo-3-phenylpropionate;Ethyl 3-phenyl-3-oxopropanoate;Ethyl benzoylacetate;Ethyl b-oxobenzenepropanoate;NSC 227214;NSC6774;b-Oxobenzenepropanoic acid ethyl ester;
- EINECS:
- 202-295-3
- Density:
- 1.104 g/cm3
- Boiling Point:
- 268.1 °C at 760 mmHg
- Flash Point:
- 113.1 °C
- Solubility:
- insoluble in water
- Appearance:
- Brownish liquid
- Safety Description:
- 24/25 Details
- Method:
- Vacuum distillation.
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*Required Fields
Chemistry
Molecular Structure:
Molecular Formula:C11H12O3
Molecular Weight:192.23
IUPAC Name: Ethyl 3-oxo-3-phenylpropanoate
Synonyms of Ethyl benzoyl acetate (CAS NO.94-02-0): 1-Ethoxy-3-phenylpropane-1,3-dione ; Acetic acid, benzoyl-, ethyl ester ; Benzenepropanoic acid, beta-oxo-, ethyl ester ; Benzoylacetic acid ethyl ester ; Ethyl 3-oxo-3-phenylpropanoate
CAS NO: 94-02-0
EINECS:202-295-3
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.509
Molar Refractivity: 51.95 cm3
Molar Volume: 173.9 cm3
Surface Tension: 39.6 dyne/cm
Enthalpy of Vaporization: 50.62 kJ/mol
Vapour Pressure: 0.00783 mmHg at 25°C
Density: 1.104 g/cm3
Boiling Point: 268.1 °C at 760 mmHg
Flash Point: 113.1 °C
Solubility: Insoluble in water
Sensitive: Light Sensitive
Appearance: White to off white powder with a characteristic odor
Product Categories of Ethyl benzoyl acetate (CAS NO.94-02-0): Pharmaceutical Intermediates
Uses
Ethyl benzoyl acetate (CAS NO.94-02-0) is used as intermediate for different organic synthesis.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 6800mg/kg (6800mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 65, 1982. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information about Ethyl benzoyl acetate (CAS NO.94-02-0):
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: AF4878000
HazardClass: IRRITANT
HS Code: 29183000
Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.