3-BENZOYLPROPIONIC ACID Chemical Properties

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 Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

26-36

WGK Germany 

3

TSCA 

Yes

HS Code 

29183000

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-BENZOYLPROPIONIC ACID Usage And Synthesis

Uses

3-Benzoylpropionic acid is a carboxylate compound and can be used as a fungicide and an oligonucleotide synthesis reagent.

Chemical Properties

white to cream crystalline powder

Uses

These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

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

3-BENZOYLPROPIONIC ACID(2051-95-8)Related Product Information

• Sodium 4-phenylbutyrate
• 1-Tetralone
• 4-CYCLOHEXYLBUTYRIC ACID
• 3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID
• 4-OXO-4-PYREN-1-YL-BUTYRIC ACID
• DL-KYNURENINE
• 3-BENZOYLPROPIONIC ACID METHYL ESTER 97+%,3-BENZOYLPROPIONIC ACID METHYL ESTER
• DL-KYNURENINE SULFATE SALT
• Menbutone
• 3-HYDROXY-DL-KYNURENINE
• 3-(4-FLUOROBENZOYL)PROPIONIC ACID
• ETHYL 3-(4-METHOXYBENZOYL)PROPIONATE
• 3-(3-FLUORO-4-METHOXYBENZOYL)PROPIONIC ACID
• 3-BENZOYLPROPIONIC ACID
• 3-(4-Chlorobenzoyl)propionic acid
• 3-(4-Methylbenzoyl)propionic acid
• 4-(3,4-DIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
• 2-Methyl-3-benzoylpropionic acid