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710-11-2

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710-11-2 Structure

710-11-2 Structure
IdentificationMore
[Name]

2-Oxo-4-phenylbutyric acid
[CAS]

710-11-2
[Synonyms]

2-OXO-4-PHENYL BUTANOIC ACID
2-OXO-4-PHENYL-BUTYRIC ACID
A-CARBONYLPHENYLBUTYRIC ACID
ALPHA-CARBONYL PHENYL BUTYRIC ACID
BENZYLPYRUVIC ACID
CHEMBRDG-BB 4013598
α-CARBONYLPHENYLBUTYRIC ACID
2-OXO-4-PHENYL BUTANOIC ACID OPBA
2-oxo-4-phenyl butan
3-Benzylpyruvic acid, 4-Phenyl-2-oxobutyric acid, α-Oxobenzenebutanoic acid
[EINECS(EC#)]

211-916-7
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00969471
[Molecular Weight]

178.18
[MOL File]

710-11-2.mol
Chemical PropertiesBack Directory
[Melting point ]

47.0 to 51.0 °C
[Boiling point ]

314.4±21.0 °C(Predicted)
[density ]

1.212±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

powder to crystal
[pka]

2.53±0.54(Predicted)
[color ]

White to Light yellow
[InChI]

InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
[InChIKey]

PPKAIMDMNWBOKN-UHFFFAOYSA-N
[SMILES]

C1(=CC=CC=C1)CCC(=O)C(=O)O
[CAS DataBase Reference]

710-11-2(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

2-Oxo-4-phenylbutyric acid is an acid derivative that can be used as a pharmaceutical synthesis intermediate.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[HazardClass ]

IRRITANT
[HS Code ]

2915601990
Hazard InformationBack Directory
[Chemical Properties]

White flakepowder
[Definition]

ChEBI: 2-Oxo-4-phenylbutyric acid is a member of benzenes.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Oxo-4-phenylbutyric acid(710-11-2)1HNMR
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