ChemicalBook--->CAS DataBase List--->1603-79-8

1603-79-8

1603-79-8 Structure

1603-79-8 Structure
IdentificationMore
[Name]

Ethyl benzoylformate
[CAS]

1603-79-8
[Synonyms]

BENZOYLFORMIC ACID ETHYL ESTER
ETHYL 2-OXO-2-PHENYLACETATE
ETHYL BENZOYLFORMATE
ETHYL PHENYLGLYOXYLATE
PHENYLETHYLGLYOXYLATE
PHENYLGLYOXYLIC ACID ETHYL ESTER
RARECHEM AL BI 0384
alpha-oxo-benzeneaceticaciethylester
Benzenaceticacid,-oxoethylester
Benzeneaceticacid,α-oxo-,ethylester
Ethyl oxophenylacetate
Ethyloxophenylacetate
Ethylα-oxobenzeneacetate
Glyoxylic acid, phenyl-, ethyl ester
Glyoxylicacid,phenyl-,ethylester
Oxo-phenyl-aceticacidethylester
α-Oxobenzeneaceticacidethylester
Benzoylformic acid ethyl ester~Ethyl phenylglyoxylate
BENZENACETIC ACID,-OXO ETHYL ESTER 96%
PhenylglyoxylicAcidEthylEther
[EINECS(EC#)]

216-504-0
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00009120
[Molecular Weight]

178.18
[MOL File]

1603-79-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to greenish liquid
[Boiling point ]

138-139 °C/18 mmHg (lit.)
[density ]

1.122 g/mL at 25 °C(lit.)
[refractive index ]

1.515-1.517
[Fp ]

113 °C
[storage temp. ]

Store below +30°C.
[form ]

Liquid
[color ]

Clear colorless to greenish
[Specific Gravity]

1.122
[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]

1603-79-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H314-H227
[Precautionary statements ]

P501-P270-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Moisture Sensitive
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HazardClass ]

IRRITANT
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Nitrogen-->Ammonium chloride-->Magnesium-->Diethyl oxalate-->Bromobenzene-->2H-1,4-Benzoxazin-2-one, 3-phenyl--->Benzene, (2-ethoxyethynyl)--->Benzeneacetyl chloride, alpha-oxo- (9CI)-->2-Aminophenol hydrochloride-->Ethyl diazophenylacetate-->Ethyl (R)-(-)-mandelate-->4,4,4-Trifluoro-3-hydroxy-1-phenyl-but-2-en-1-one-->Benzoylacetonitrile-->2,4,6-Triphenylboroxin-->Phenylglyoxal-->Phenylboronic acid-->Ethyl phenylacetate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl phenylglyoxylate(1603-79-8).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to greenish liquid
[Application]

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

Ethyl Benzoylformate is a general chemical reagent used in the preparation of diaminoethanediyl bismethylpyridinium salts for designing recyclable organocatalysts.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl benzoylformate(1603-79-8)1HNMR
Ethyl benzoylformate(1603-79-8)13CNMR
Ethyl benzoylformate(1603-79-8)IR1
Ethyl benzoylformate(1603-79-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl benzoylformate, 95%(1603-79-8)
[Alfa Aesar]

Ethyl phenylglyoxylate, 98%(1603-79-8)
[Sigma Aldrich]

1603-79-8(sigmaaldrich)
[TCI AMERICA]

Ethyl Benzoylformate,>96.0%(GC)(1603-79-8)
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