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116807

Sigma-Aldrich

3-Phenylbutyric acid

98%

Synonym(s):

(±)-3-Phenylbutyric acid, (±)-β-Methylhydrocinnamic acid

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About This Item

Linear Formula:
CH3CH(C6H5)CH2COOH
CAS Number:
4593-90-2
Molecular Weight:
164.20
Beilstein/REAXYS Number:
2044322
EC Number:
224-987-4
MDL number:
MFCD00002725
UNSPSC Code:
12352100
PubChem Substance ID:
24847305
NACRES:
NA.22

assay

98%

form

solid

bp

170-172 °C/20 mmHg (lit.)

mp

35-38 °C (lit.)

density

1.515 g/mL at 25 °C (lit.)

SMILES string

CC(CC(O)=O)c1ccccc1

InChI

1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

InChI key

ZZEWMYILWXCRHZ-UHFFFAOYSA-N

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General description

3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.

Application

3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

G3407

Glutaric acid

α-Methylhydrocinnamic acid 98%

Sigma-Aldrich

391522

α-Methylhydrocinnamic acid

S Simoni et al.
Applied and environmental microbiology, 62(3), 749-755 (1996-03-01)
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 enantiomers as well as with the racemate showed that only one of
Thi Nhi-Cong Le et al.
Journal of basic microbiology, 50(3), 241-253 (2010-02-10)
A soil bacterium isolated from oil-polluted sand samples collected in the Saudi Arabian Desert has been determined as Nocardia cyriacigeorgica, which has a high capacity of degrading and utilizing a broad range of hydrocarbons. The metabolic pathways of three classes
Helge Jochens et al.
Chembiochem : a European journal of chemical biology, 11(13), 1861-1866 (2010-08-04)
Simultaneous multiple site-saturation mutagenesis was performed at four active-site positions of an esterase from Pseudomonas fluorescens to improve its ability to convert 3-phenylbutyric acid esters (3-PBA) in an enantioselective manner. Based on an appropriate codon choice derived from a structural
P D Ross et al.
Biophysical journal, 71(4), 2144-2154 (1996-10-01)
Values of K, delta G(o), delta H(o), delta S(o) and delta C(po) for the binding reaction of small organic ligands forming 1:1 complexes with either alpha- or beta-cyclodextrin were obtained by titration calorimetry from 15 degrees C to 45 degrees
F S Sariaslani et al.
Journal of bacteriology, 152(1), 411-421 (1982-10-01)
Pseudomonas sp. isolated by selective culture with 3-phenylbutyrate (3-PB) as the sole carbon source metabolized the compound through two different pathways by initial oxidation of the benzene ring and by initial oxidation of the side chain. During early exponential growth
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