Ethyl benzoylformate Chemical Properties

Boiling point:

138-139 °C/18 mmHg (lit.)

Density 

1.122 g/mL at 25 °C (lit.)

refractive index 

1.515-1.517

Flash point:

113 °C

storage temp. 

Store below +30°C.

form 

Liquid

Specific Gravity

1.122

color 

Clear colorless to greenish

Water Solubility 

Soluble in water 1143 mg/L @ 25°C .

Sensitive 

Moisture Sensitive

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

SMILES

C1(C=CC=CC=1)C(=O)C(=O)OCC

LogP

1.974 (est)

CAS DataBase Reference

1603-79-8(CAS DataBase Reference)

NIST Chemistry Reference

Benzeneacetic acid, «alpha»-oxo-, ethyl ester(1603-79-8)

EPA Substance Registry System

Benzeneacetic acid, .alpha.-oxo-, ethyl ester (1603-79-8)

Safety Information

Hazard Codes 

Xi

Safety Statements 

24/25

WGK Germany 

3

Hazard Note 

Moisture Sensitive

TSCA 

TSCA listed

HazardClass 

IRRITANT

HS Code 

29183000

MSDS

• Language:English Provider:Ethyl phenylglyoxylate
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Ethyl benzoylformate Usage And Synthesis

Chemical Properties

clear colorless to greenish liquid

Uses

Ethyl Benzoylformate is a general chemical reagent used in the preparation of diaminoethanediyl bismethylpyridinium salts for designing recyclable organocatalysts.

Application

Ethyl benzoylformate has been used in preparation of 1,5-dihydro-5-deazaflavin derivatives possessing a chiral substituent at N(3) position.

Definition

ChEBI: Ethyl benzoylformate is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a phenylglyoxylic acid.

Synthesis Reference(s)

Journal of the American Chemical Society, 82, p. 918, 1960
The Journal of Organic Chemistry, 50, p. 3573, 1985 DOI: 10.1021/jo00219a025
Tetrahedron Letters, 23, p. 3661, 1982 DOI: 10.1016/S0040-4039(00)88651-7

General Description

Enantioselective hydrogenation of ethyl benzoylformate on Pt/Al₂O₃ modified with dihydrocinchonidine has been studied.

Ethyl benzoylformate(1603-79-8)Related Product Information

• Benzoyl peroxide
• Ethanol
• Ethyl acetate
• Ethylparaben
• Ethyl cyanoacetate
• ETHYL ANTHRANILATE
• Ethyl benzoate
• Ethyl acrylate
• Stearoylbenzoylmethane
• Ethyl benzoylacetate
• Ethyl pyruvate
• Ethyl formate
• ISOXADIFEN-ETHYL
• Trinexapac-ethyl
• ETHYL 4-METHOXYBENZOYLFORMATE
• ETHYL 4-NITROPHENYLGLYOXYLATE
• ETHYL MESITYLGLYOXYLATE
• Ethyl phenylacetate