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2-Phenylbutyric acid

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2-Phenylbutyric acid Basic information

Product Name:
2-Phenylbutyric acid
Synonyms:
  • 2-phenyl-butyricaci
  • alpha-Phenylbutyric acid
  • alpha-phenylbutyricacid
  • alpha-Toluic acid, alpha-ethyl-
  • Butyric acid, 2-phenyl-
  • RARECHEM AL BO 0093
  • Phenobarbital Impurity 3
  • A-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
  • Organic acids
  • Intermediates & Fine Chemicals
  • Metabolites & Impurities
  • Pharmaceuticals
  • john's
Mol File:
90-27-7.mol
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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
Flash point:
>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)
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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

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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

Preparation Products

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