ChemicalBook Product Catalog Chemical Reagents Organic reagents fatty acid 3-PHENYLBUTYRIC ACID

3-PHENYLBUTYRIC ACID

3-PHENYLBUTYRIC ACID Basic information
Product Name:3-PHENYLBUTYRIC ACID
Synonyms:(/-)-3-PHENYLBUTYRIC ACID;BETA-PHENYL-N-BUTYRIC ACID;(+/-)-BETA-METHYLHYDROCINNAMIC ACID;RARECHEM AL BE 0683;(+/-)-3-PHENYLBUTYRIC ACID;3-PHENYLBUTYRIC ACID;3-Phenylbutanoic acid;Benzenepropanoic acid, beta-methyl-
CAS:4593-90-2
MF:C10H12O2
MW:164.2
EINECS:224-987-4
Product Categories:C10;Carbonyl Compounds;Building Blocks;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
Mol File:4593-90-2.mol
3-PHENYLBUTYRIC ACID Structure
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)
Fp 77 °F
storage temp. Store at -20°C
pka4.67±0.10(Predicted)
Water Solubility 9.254g/L(30 ºC)
BRN 2044322
CAS DataBase Reference4593-90-2(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 Information
ProviderLanguage
SigmaAldrich English
ALFA English
3-PHENYLBUTYRIC ACID Usage And Synthesis
Uses3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.
DefinitionChEBI: 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 Description3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.
3-PHENYLBUTYRIC ACID Preparation Products And Raw materials
Raw materialsHydrochloric acid-->Tetrahydrofuran-->n-Butyllithium-->Bromobenzene-->Crotonic acid
ETHYL OXO(2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETATE DL-Phenylsuccinic acid ETHYL-3-CYANO-3-PHENYLPYRUVATE 97 TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID DIETHYL 2-PHENYL-1,1-CYCLOPROPANEDICARBOXYLATE 2-AMINO-3-PHENYLBUTANOIC ACID HYDROCHLORIDE 1-INDANYLMALONIC ACID 3-(DICHLOROMETHYL)PYRIDINE HCL 3-PHENYLBUTYRIC ACID 3-methyl-3-phenylglutaric acid Diethyl2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate ALPHA BETA DIMETHYL HYDRO CINNAMIC ACID 4-NITROPHENYLSUCCINIC ACID 4-AMINOPHENYLSUCCINIC ACID ETHYL TRANS-2-PHENYLCYCLOPROPANECARBOXYLATE Ethyl 3-methyl-3-phenylglycidate 3-Phenylglutaric acid 3-(4-FLUORO-PHENYL)-BUTYRIC ACID
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