3-PHENYLBUTYRIC ACID Chemical Properties

Melting point:

35-38 °C(lit.)

Boiling point:

170-172 °C20 mm Hg(lit.)

Density 

1.515 g/mL at 25 °C(lit.)

refractive index 

1.5160 (estimate)

Flash point:

77 °F

storage temp. 

Store at -20°C

pka

4.67±0.10(Predicted)

form 

Solid

color 

White to off-white

Water Solubility 

9.254g/L(30 ºC)

BRN 

2044322

CAS DataBase Reference

4593-90-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,F

Risk Statements 

36/37/38-10

Safety Statements 

22-24/25-36-26-16

RIDADR 

1325

WGK Germany 

3

HazardClass 

4.1

PackingGroup 

III

HS Code 

2916399090

MSDS

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

3-PHENYLBUTYRIC ACID Usage And Synthesis

Uses

3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.

Definition

ChEBI: 3-phenylbutyric acid is a monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. It has a role as an antibacterial agent and a bacterial xenobiotic metabolite. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a 3-phenylpropionic acid.

Synthesis Reference(s)

Tetrahedron Letters, 21, p. 2181, 1980 DOI: 10.1016/S0040-4039(00)78992-1

General Description

3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.

3-PHENYLBUTYRIC ACID(4593-90-2)Related Product Information

• DL-Phenylsuccinic acid
• 4-NITROPHENYLSUCCINIC ACID
• ETHYL-3-CYANO-3-PHENYLPYRUVATE 97
• 3-(DICHLOROMETHYL)PYRIDINE HCL
• 3-PHENYLBUTYRIC ACID
• TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID
• 3-Phenylglutaric acid
• 3,3,3-Triphenylpropionic acid
• Fluorene-9-acetic acid
• 5-METHOXY-1-INDANONE-3-ACETIC ACID
• 3,3-Diphenylpropionic acid
• COUMACHLOR
• 3,3,3-Tris(4-chlorophenyl)propionic acid
• FMOC-(R)-3-AMINO-4-(4-METHYL-PHENYL)-BUTYRIC ACID
• Ethyl (R)-2-hydroxy-4-phenylbutyrate
• BOC-(R)-3-AMINO-4-(4-NITRO-PHENYL)-BUTYRIC ACID
• Boc-D-homophenylalanine
• (S)-4-AMINO-3-P-TOLYLBUTANOIC ACID