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2051-95-8

2051-95-8 Structure

2051-95-8 Structure
IdentificationMore
[Name]

3-BENZOYLPROPIONIC ACID
[CAS]

2051-95-8
[Synonyms]

3-BENZOYLPROPIONIC ACID
4-OXO-4-PHENYLBUTANOIC ACID
4-OXO-4-PHENYLBUTYRIC ACID
B-BENZOYLPROPIONIC ACID
BETA-BENZOYLPROPIONIC ACID
LABOTEST-BB LT00452552
gamma-oxo-benzenebutanoicaci
2-(3-Carboxyphenyl) Propionic Acid
3-BenzoylpropionicAcid98%
3-Benzoylpropionic Acid 98%
3-Benzoyl
3-benzoylpropionic
Benzenebutanoic acid, .gamma.-oxo-
3-Benzoylpropanoic acid
gamma-oxo-benzenebutanoic acid
γ-Oxo-benzenebutanoic acid
4-Phenyl-4-oxobutanoic acid
γ-Oxobenzenebutyric acid
[EINECS(EC#)]

218-135-0
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00002792
[Molecular Weight]

178.18
[MOL File]

2051-95-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to cream crystalline powder
[Melting point ]

114-117 °C(lit.)
[Boiling point ]

270.41°C (rough estimate)
[density ]

1.1601 (rough estimate)
[refractive index ]

1.5370 (estimate)
[storage temp. ]

2-8°C
[form ]

Crystalline Powder
[pka]

4.53±0.17(Predicted)
[color ]

White to cream
[BRN ]

639757
[CAS DataBase Reference]

2051-95-8(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenebutanoic acid, .gamma.-oxo- (2051-95-8)
Questions And AnswerBack Directory
[Uses]

3-Benzoylpropionic acid is a carboxylate compound and can be used as a fungicide and an oligonucleotide synthesis reagent.
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29183000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aluminium chloride hexahydrate-->Succinic anhydride
[Preparation Products]

GAMMA-PHENYL-GAMMA-BUTYROLACTONE-->3-(4-BROMOBENZOYL)PROPIONIC ACID-->5-(HYDROXYMETHYL)-6-PHENYL-4,5-DIHYDRO-3(2H)-PYRIDAZINONE-->3-BROMO-4-OXO-4-PHENYLBUTANOIC ACID
Hazard InformationBack Directory
[Chemical Properties]

white to cream crystalline powder
[Definition]

ChEBI: A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 9, p. 52, 1966 DOI: 10.1021/jm00319a013
Journal of the American Chemical Society, 69, p. 11, 1947 DOI: 10.1021/ja01193a003
Tetrahedron Letters, 5, p. 2777, 1964
Spectrum DetailBack Directory
[Spectrum Detail]

3-BENZOYLPROPIONIC ACID(2051-95-8)MS
3-BENZOYLPROPIONIC ACID(2051-95-8)1HNMR
3-BENZOYLPROPIONIC ACID(2051-95-8)13CNMR
3-BENZOYLPROPIONIC ACID(2051-95-8)IR1
3-BENZOYLPROPIONIC ACID(2051-95-8)IR2
3-BENZOYLPROPIONIC ACID(2051-95-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Benzoylpropionic acid, 98%(2051-95-8)
[Alfa Aesar]

3-Benzoylpropionic acid, 98+%(2051-95-8)
[Sigma Aldrich]

2051-95-8(sigmaaldrich)
[TCI AMERICA]

3-Benzoylpropionic Acid,>98.0%(T)(2051-95-8)
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