3-Phenylbutyric acid

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Names

[ CAS No. ]:
4593-90-2

[ Name ]:
3-Phenylbutyric acid

[Synonym ]:
b-Phenylbutyric acid
3-Phenylbutyric acid
MFCD00002725
(RS)-3-Phenylbutanoic acid
(/-)-3-phenylbutyric acid
Benzenepropanoic acid, β-methyl-
EINECS 224-987-4
RARECHEM AL BE 0683
b-Phenyl-n-butyric acid
β-Phenyl-n-butyric acid
β-Methylbenzenepropanoic acid
3-phenylbutyrate
3-Phenylbutanoic acid
b-methyl benzenepropanoic acid
b-Methylbenzenepropanoic acid
3-S-phenyl-1-butanoic acid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
288.0±0.0 °C at 760 mmHg

[ Melting Point ]:
35-38 °C(lit.)

[ Molecular Formula ]:
C10H12O2

[ Molecular Weight ]:
164.201

[ Flash Point ]:
170.2±13.9 °C

[ Exact Mass ]:
164.083725

[ PSA ]:
37.30000

[ LogP ]:
2.19

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.531

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
1325

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
4.1

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • carbon monoxide
  • α-methylstyrene
  • Bromobenzene
  • Crotonic acid
  • hyacinth butanal
  • 1,1,1-trichloro-3-phenylbutan-2-ol
  • 3-phenylbut-2-enoic acid
  • Phenyllithium
  • (S)-(+)-3-phenylbutyric acid ethyl ester

DownStream

  • 3-Methylindanone
  • (1S)-1-methyl-1H-indene
  • methyl-3-phenylbutyrate
  • [1-(dichloromethyl)-1-methylpropyl]benzene
  • 1,3-diphenyl-1-butanone
  • 2H-1-Benzopyran-2-one, 3,4-dihydro-4-methyl-
  • 4-phenylpentan-2-one
  • Methylindene
  • (R)-3-Phenylbutyric acid
  • 3-Phenylbutyric acid

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Adsorption of small hydroxy acids on glass: a pitfall in quantitative urinary organic acid analysis by GC-MS.

J. Inherit. Metab. Dis. 22(3) , 293-6, (1999)

Induction of histone acetylation and growth regulation in eryrthroleukemia cells by 4-phenylbutyrate and structural analogs.

Anticancer Res. 19(3A) , 1971-6, (1999)

The objective of this investigation was to study the relationship between histone acetylation and growth inhibition by 4-phenylbutyrate and structural analogs. Inhibition of growth of DS19 mouse eryth...

Enantioselective Metabolism of Chiral 3-Phenylbutyric Acid, an Intermediate of Linear Alkylbenzene Degradation, by Rhodococcus rhodochrous PB1.

Appl. Environ. Microbiol. 62(3) , 749-55, (1996)

Rhodococcus rhodochrous PB1 was isolated from compost soil by selective culture with racemic 3-phenylbutyric acid as the sole carbon and energy source. Growth experiments with the single pure enantiom...


More Articles

Related Compounds

  • R-3-phenylbutyric acid
  • (S)-3-Phenylbutyric acid
  • 3-phenylbutyric acid chloride
  • 3-methyl-3-phenylbutyric acid
  • 4-Benzoyl-3-phenylbutyric acid
  • 4'-methoxy-3-phenylbutyric acid
  • 4-[(2,2-Difluoroethyl)sulfanyl]aniline
  • 3-(2,2-Difluoroethoxy)phenol
  • 3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)propanoic acid
  • 2-[[[2-(Aminomethyl)phenyl]methyl]ethylamino]acetamide
  • 1-(2,2-Difluoroethyl)-1H-indol-5-amine
  • 1-(2,2-Difluoroethyl)-1H-indol-6-amine
  • 3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)propan-1-amine
  • tert-butyl N-[2-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl]carbamate
  • Butyl[(oxan-4-yl)methyl]amine
  • N-[(oxan-4-yl)methyl]cyclopentanamine
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