Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • Benzeneacetic acid, a-oxo-, ethyl ester
Name:Benzeneacetic acid, a-oxo-, ethyl ester
CAS No:1603-79-8

PRODUCT DESCRIPTION

【Name】
Benzeneacetic acid, a-oxo-, ethyl ester
【Iupac name】
ethyl 2-oxo-2-phenylacetate
【CAS Registry number】
1603-79-8
【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(EC#)】
216-504-0
【Molecular Formula】
C10H10O3 (Products with the same molecular formula)
【Molecular Weight】
178.19
【Inchi】
InChI=1/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
【InChIKey】
QKLCQKPAECHXCQ-UHFFFAOYSA-N
【Canonical SMILES】
CCOC(=O)C(=O)C1=CC=CC=C1
【MOL File】
1603-79-8.mol

Chemical and Physical Properties

【Appearance】
yellow liquid
【Density】
1.122
【Melting Point】
97
【Boiling Point】
138-139℃ (18 mmHg)
【Vapour】
0.0153mmHg at 25°C
【Refractive Index】
1.515-1.517
【Flash Point】
113℃
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29183000
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
【Computed Properties】
Molecular Weight:178.1846 [g/mol]
Molecular Formula:C10H10O3
XLogP3-AA:2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:178.062994
MonoIsotopic Mass:178.062994
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Formal Charge:0
Complexity:192
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:35

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Hazard Note】
Moisture Sensitive
【Safety】

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

【Sensitive】
Moisture Sensitive
【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.

RELATED PRODUCTS