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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;3-PHENYLBUTYRIC ACID 99%;(+/-)-3-phenylbutyric acid;b-methyl benzenepropanoic acid
CBNumber:
CB4446275
Molecular Formula:
C10H12O2
Molecular Weight:
164.2
MDL Number:
MFCD00002725
MOL File:
4593-90-2.mol
Last updated:2023-05-21 10:59:17

3-PHENYLBUTYRIC ACID 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)
Water Solubility 9.254g/L(30 ºC)
BRN 2044322
CAS DataBase Reference 4593-90-2(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
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

3-PHENYLBUTYRIC ACID price More Price(11)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 116807 3-Phenylbutyric acid 98% 4593-90-2 5g $154.8 2024-03-01 Buy
Sigma-Aldrich 116807 3-Phenylbutyric acid 98% 4593-90-2 25g $348 2024-03-01 Buy
TRC P321010 3-Phenylbutyric acid 4593-90-2 10mg $45 2021-12-16 Buy
ChemScene CS-W017905 3-Phenylbutyric acid >97.0% 4593-90-2 5g $80 2021-12-16 Buy
Matrix Scientific 139910 3-Phenylbutyric acid 95%+ 4593-90-2 1g $101 2021-12-16 Buy
Product number Packaging Price Buy
116807 5g $154.8 Buy
116807 25g $348 Buy
P321010 10mg $45 Buy
CS-W017905 5g $80 Buy
139910 1g $101 Buy

3-PHENYLBUTYRIC ACID Chemical Properties,Uses,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

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(/-)-3-PHENYLBUTYRIC ACID BETA-PHENYL-N-BUTYRIC ACID (+/-)-BETA-METHYLHYDROCINNAMIC ACID RARECHEM AL BE 0683 (+/-)-3-PHENYLBUTYRIC ACID 3-PHENYLBUTYRIC ACID Benzenepropanoic acid, beta-methyl- 3-PHENYLBUTYRIC ACID 99% b-methyl benzenepropanoic acid (±)-β-Methylhydrocinnamic acid, (±)-3-Phenylbutyric acid 3-Phenylbutyrsaeure (+/-)-3-phenylbutyric acid 3-Phenylbutanoic 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- 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