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Ethyl benzoylformate

Ethyl benzoylformate structure

CAS No:
1603-79-8
Formula:
C10H10O3
Chemical Name:
Ethyl benzoylformate
Synonyms:
Benzeneacetic acid,α-oxo-,ethyl ester;Glyoxylic acid,phenyl-,ethyl ester;Ethyl phenylglyoxylate;Ethyl benzoylformate;Ethyl oxophenylacetate;Ethyl 2-oxo-2-phenylacetate;Ethyl α-oxobenzeneacetate;Phenylglyoxylic acid ethyl ester;α-Oxobenzeneacetic acid ethyl ester;NSC 6766;2-Oxo-2-phenylacetic acid ethyl ester;Ethyl 2-phenyl-2-oxoacetate;2-Phenyl-2-oxoacetic acid ethyl ester
Categories:
Chemical Reagents > Organic Reagents

Description

Ethyl phenylglyoxylate 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.

Ethyl benzoylformate Basic Attributes

Molecular Weight：

178.18

Exact Mass：

178.18

EC Number：

216-504-0

NSC Number：

6766

DSSTox ID：

DTXSID1061815

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

Appearance：

Clear colorless to greenish Liquid

Density：

1.1255 g/cm³ @ Temp: 13.35 °C

Melting Point：

97ºC

Boiling Point：

256.5 °C

Flash Point：

113 °C

Refractive Index：

1.513

Water Solubility：

soluble in water 1143 mg/L @ 25°C .

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.0153mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

safety instructions：

24/25

Marks：

Hazard note：

Moisture Sensitive

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Drug Information

MeSH Entry Terms：

ethyl phenylglyoxylate

Ethyl benzoylformate Use and Manufacturing

Manufacturing Info：

Benzeneacetic acid, .alpha.-oxo-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:178.18
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl benzoylformate

CAS No.: 1603-79-8

Content: 99.00%

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