3-PHENYLBUTYRIC ACID Property

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)

Water Solubility 

9.254g/L(30 ºC)

BRN 

2044322

CAS DataBase Reference

4593-90-2(CAS DataBase Reference)

Safety

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

3-PHENYLBUTYRIC ACID Chemical Properties,Usage,Production

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.