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1603-79-8

Basic Information
CAS No.: 1603-79-8
Name: Ethyl benzoylformate
Article Data: 238
Molecular Structure:
Molecular Structure of 1603-79-8 (Ethyl benzoylformate)
Formula: C10H10O3
Molecular Weight: 178.188
Synonyms: Glyoxylicacid, phenyl-, ethyl ester (6CI,7CI,8CI);2-Oxo-2-phenylacetic acid ethylester;Ethyl 2-oxo-2-phenylacetate;Ethyl 2-phenyl-2-oxoacetate;Ethyl oxophenylacetate;Ethyl phenylglyoxylate;Ethyl a-oxobenzeneacetate;NSC 6766;Phenylglyoxylic acid ethyl ester;a-Oxobenzeneacetic acid ethyl ester;
EINECS: 216-504-0
Density: 1.132 g/cm3
Melting Point: 97oC
Boiling Point: 256.499 °C at 760 mmHg
Flash Point: 111.421 °C
Solubility: Soluble in water 1143 mg/L @ 25°C .
Appearance: clear colorless to greenish liquid
Hazard Symbols: IrritantXi
Safety: 24/25
PSA: 43.37000
LogP: 1.43240
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    Ethyl benzoylformate

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Chemistry

Molecular Formula: C10H10O3
Molar mass: 178.18 g/mol
EINECS: 216-504-0
Density: 1.131 g/cm3
Flash Point: 111.4 °C
Index of Refraction: 1.512
Boiling Point: 256.5 °C at 760 mmHg
Vapour Pressure: 0.0153 mmHg at 25°C
Appearance: Clear colorless to greenish liquid
Product categories: Aromatic Esters;Phenyls & Phenyl-Het;Pharmaceutical Intermediates;API intermediates
Structure of Ethyl benzoylformate (1603-79-8):
           
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: ethyl 2-Oxo-2-phenylacetate
Canonical SMILES: CCOC(=O)C(=O)C1=CC=CC=C1
InChI: InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3 
InChIKey: QKLCQKPAECHXCQ-UHFFFAOYSA-N

Uses

 Ethyl benzoylformate (1603-79-8) can be used for API and pharmaceutical intermediates.

Toxicity Data With Reference

Carcinogenicity of Ethyl benzoylformate (1603-79-8) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: Xi
Safety Statements:
24:  Avoid contact with skin
25:  Avoid contact with eyes

Specification

 Ethyl benzoylformate (1603-79-8) also can be called Glyoxylic acid, phenyl-, ethyl ester and Benzeneacetic acid, .alpha.-oxo-, ethyl ester .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, Ethyl benzoylformate (1603-79-8) is moisture sensitive.It is not compatible with strong oxidizing agents,strong bases, and you must not take it with incompatible materials, and it should not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: carbon dioxide,carbon monoxide.