| Identification | More | [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 Properties | Back 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 | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
4.53±0.17(Predicted) | [color ]
White to cream | [BRN ]
639757 | [InChI]
InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) | [InChIKey]
KMQLIDDEQAJAGJ-UHFFFAOYSA-N | [SMILES]
C1C=C(C(=O)CCC(=O)O)C=CC=1 | [CAS DataBase Reference]
2051-95-8(CAS DataBase Reference) | [EPA Substance Registry System]
Benzenebutanoic acid, .gamma.-oxo- (2051-95-8) |
| Safety Data | Back 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 |
| Hazard Information | Back 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 |
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