ChemicalBook > CAS DataBase List > 3-PHENYLBUTYRIC ACID

3-PHENYLBUTYRIC ACID

Product Name
3-PHENYLBUTYRIC ACID
CAS No.
4593-90-2
Chemical Name
3-PHENYLBUTYRIC ACID
Synonyms
3-Phenylbutanoic acid;RARECHEM AL BE 0683;3-Phenylbutyrsaeure;3-PHENYLBUTYRIC ACID;(/-)-3-PHENYLBUTYRIC ACID;BETA-PHENYL-N-BUTYRIC ACID;(+/-)-3-PHENYLBUTYRIC ACID;3-PHENYLBUTYRIC ACID 99%;(+/-)-3-phenylbutyric acid;b-methyl benzenepropanoic acid
CBNumber
CB4446275
Molecular Formula
C10H12O2
Formula Weight
164.2
MOL File
4593-90-2.mol
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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)
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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
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
116807
Product name
3-Phenylbutyric acid
Purity
98%
Packaging
5g
Price
$154.8
Updated
2024/03/01
Sigma-Aldrich
Product number
116807
Product name
3-Phenylbutyric acid
Purity
98%
Packaging
25g
Price
$348
Updated
2024/03/01
TRC
Product number
P321010
Product name
3-Phenylbutyric acid
Packaging
10mg
Price
$45
Updated
2021/12/16
ChemScene
Product number
CS-W017905
Product name
3-Phenylbutyric acid
Purity
>97.0%
Packaging
5g
Price
$80
Updated
2021/12/16
Matrix Scientific
Product number
139910
Product name
3-Phenylbutyric acid
Purity
95%+
Packaging
1g
Price
$101
Updated
2021/12/16
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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.

3-PHENYLBUTYRIC ACID Preparation Products And Raw materials

Raw materials

Crotonic acid Bromobenzene Tetrahydrofuran Hydrochloric acid n-Butyllithium

Preparation Products

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4593-90-2, 3-PHENYLBUTYRIC ACIDRelated Search:

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

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  • Endogenous Metabolite,PB1,initial,Carbon,Inhibitor,inhibit,oxidations,3-Phenylbutyric acid,3Phenylbutyric acid,3 Phenylbutyric acid
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