3-PHENYLBUTYRIC ACID

Product Name: 3-PHENYLBUTYRIC ACID
CAS No.: 4593-90-2
Chemical Name: 3-PHENYLBUTYRIC ACID
Synonyms: 3-Phenylbutanoic acid;3-Phenylbutyrsaeure;RARECHEM AL BE 0683;3-PHENYLBUTYRIC ACID;(/-)-3-PHENYLBUTYRIC ACID;BETA-PHENYL-N-BUTYRIC ACID;3-PHENYLBUTYRIC ACID 99%;(+/-)-3-phenylbutyric acid;b-methyl benzenepropanoic acid;Benzenepropanoic acid, b-methyl-
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)
form: Solid
color: White to off-white
optical activity: -0.1700°(C=1g/100ml CHCL3)
Water Solubility: 9.254g/L(30 ºC)
BRN: 2044322
InChI: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKey: ZZEWMYILWXCRHZ-UHFFFAOYSA-N
SMILES: C1(=CC=CC=C1)C(C)CC(=O)O
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
Storage Class: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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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: $186.2
Updated: 2025/07/31

Sigma-Aldrich

Product number: 116807
Product name: 3-Phenylbutyric acid
Purity: 98%
Packaging: 25g
Price: $359
Updated: 2025/07/31

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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3-PHENYLBUTYRIC ACID Suppliers

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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

(/-)-3-PHENYLBUTYRIC ACID

BETA-PHENYL-N-BUTYRIC ACID

(+/-)-BETA-METHYLHYDROCINNAMIC ACID

RARECHEM AL BE 0683

3-PHENYLBUTYRIC ACID

3-Phenylbutanoic acid

Benzenepropanoic acid, beta-methyl-

3-PHENYLBUTYRIC ACID 99%

b-methyl benzenepropanoic acid

(±)-β-Methylhydrocinnamic acid, (±)-3-Phenylbutyric acid

3-Phenylbutyrsaeure

(+/-)-3-phenylbutyric acid

Benzenepropanoic acid, b-methyl-

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

Benzenepropanoic acid, β-methyl-

3-Phenylbutyric acid, 10 mM in DMSO

4593-90-2

CH3CHC6H5CH2CO2H

CH3CHC6H5CH2COOH

CARBOXYLIC ACID

C10

Building Blocks

Carboxylic Acids

Carbonyl Compounds

Organic Building Blocks

C10

Carbonyl Compounds

Carboxylic Acids

Chemical Synthesis

Organic Building Blocks

Building Blocks