2-Phenylbutyric acid

2-Phenylbutyric acid Basic information

Product Name:	2-Phenylbutyric acid
Synonyms:	2-phenyl-butyricaci;alpha-phenylbutyricacid;alpha-Toluic acid, alpha-ethyl-;Butyric acid, 2-phenyl-;RARECHEM AL BO 0093;A-ETHYLPHENYLACETIC ACID;AKOS BBS-00006483;ALPHA-ETHYLPHENYLACETIC ACID
CAS:	90-27-7
MF:	C10H12O2
MW:	164.2
EINECS:	201-982-5
Product Categories:	Aromatics, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Aromatics;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Organic acids
Mol File:	90-27-7.mol

2-Phenylbutyric acid Chemical Properties

Melting point	39-42 °C (lit.)
Boiling point	270-272 °C (lit.)
density	0,62 g/cm³
refractive index	1.5150
Fp	>230 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form	Solid
pka	4.34±0.10(Predicted)
color	White adhering crystalline powder
Water Solubility	insoluble
BRN	509876
CAS DataBase Reference	90-27-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneacetic acid, «alpha»-ethyl-(90-27-7)
EPA Substance Registry System	Benzeneacetic acid, .alpha.-ethyl- (90-27-7)

Safety Information

Hazard Codes	Xn
Risk Statements	22-20/21/22
Safety Statements	22-36
WGK Germany	3
RTECS	ET5957500
TSCA	Yes
HS Code	29163900
Toxicity	LD50 orl-mus: 1154 mg/kg BCFAAI 100,143,61

MSDS Information

Provider	Language
alpha-Ethylphenylacetic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

2-Phenylbutyric acid Usage And Synthesis

Chemical Properties	white to yellowish adhering crystals with aromatic odor.
Uses	2-Phenylbutyric Acid is a metabolite of Butamirate. It exists in all living organisms, ranging from bacteria to humans. It is used as an antihyperlipidemic drug.
Definition	ChEBI: 2-phenylbutyric acid is a monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. It has a role as a human xenobiotic metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from a butyric acid.
Synthesis Reference(s)	Chemical and Pharmaceutical Bulletin, 31, p. 2564, 1983 DOI: 10.1248/cpb.31.2564
Safety Profile	Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

2-Phenylbutyric acid Preparation Products And Raw materials

Raw materials	1-Propanone, 1-phenyl-, one-->2-PHENYLBUTYRONITRILE-->TRANS-BETA-METHYLSTYRENE-->β-Methylstyrene-->2-PHENYLBUTYRIC ACID ANHYDRIDE-->N-PROPYLBENZENE
Preparation Products	2-(4-NITROPHENYL)BUTYRIC ACID-->α-(p-Aminophenyl)butyric acid-->2-Benzylpropionic acid-->(R)-(-)-2-PHENYLBUTYRIC ACID-->2-Phenylbutyryl chloride-->(S)-(+)-2-PHENYLBUTYRIC ACID-->Butamirate Impurity 1

1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID (S)-2-AMINO-4-(4-HYDROXY-PHENYL)-BUTYRIC ACID CYCLOHEXYLPHENYLACETIC ACID FMOC-(R)-3-AMINO-4-(4-METHYL-PHENYL)-BUTYRIC ACID BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTYRIC ACID FMOC-(S)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID Ethyl 2-(Chlorosulfonyl)acetate Phenylacetone 3-METHYL-2-PHENYLVALERIC ACID 2-AMINO-2-CYCLOPROPYL-2-PHENYLACETIC ACID DIETHYL 2-ETHYL-2-(P-TOLYL)MALONATE 1-(4-METHOXYPHENYL)-1-CYCLOPENTANECARBOXYLIC ACID ALPHA,ALPHA-DIPHENYL-GAMMA-BUTYROLACTONE 1-Phenyl-2-nitropropene phosphoric acid ALPHA-PHENYLCYCLOPENTANEACETIC ACID 2-Phenylbutyric acid 2-PHENYLGLUTARIC ANHYDRIDE

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