Skip to Content
Merck
All Photos(1)

Key Documents

116807

Sigma-Aldrich

3-Phenylbutyric acid

98%

Synonym(s):

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

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
CH3CH(C6H5)CH2COOH
CAS Number:
Molecular Weight:
164.20
Beilstein:
2044322
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Customers Also Viewed

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
K G Moorhouse et al.
Biochemical pharmacology, 41(8), 1179-1185 (1991-04-15)
The formation of neutral lipophilic metabolites from five xenobiotic carboxylic acids was studied in isolated rat hepatocytes. Oleic acid was used as a positive control. Rates of formation of lipids lay in the order: oleic acid greater than phytanic acid
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
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
A combination of in vivo selection and cell sorting for the identification of enantioselective biocatalysts.
Elena Fernández-Álvaro et al.
Angewandte Chemie (International ed. in English), 50(37), 8584-8587 (2011-08-05)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service