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116807

Sigma-Aldrich

3-Phenylbutyric acid

98%

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Synonym(s):
(±)-3-Phenylbutyric acid, (±)-β-Methylhydrocinnamic acid
Linear Formula:
CH3CH(C6H5)CH2COOH
CAS Number:
Molecular Weight:
164.20
Beilstein:
2044322
EC Number:
MDL number:
PubChem Substance ID:

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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This Item
P20955349763328014
3-Phenylbutyric acid 98%

Sigma-Aldrich

116807

3-Phenylbutyric acid

2-Phenylbutyric acid 98%

Sigma-Aldrich

P20955

2-Phenylbutyric acid

3-Methylhippuric acid 98%

Sigma-Aldrich

328014

3-Methylhippuric acid

form

solid

form

crystals

form

powder

form

-

bp

170-172 °C/20 mmHg (lit.)

bp

270-272 °C (lit.)

bp

-

bp

-

mp

35-38 °C (lit.)

mp

39-42 °C (lit.)

mp

43-45 °C (lit.)

mp

138-140 °C (lit.)

density

1.515 g/mL at 25 °C (lit.)

density

-

density

-

density

-

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

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

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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
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
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
Eva Bandres et al.
International journal of cancer, 125(11), 2737-2743 (2009-06-13)
In the last years, microRNAs (miRNA) have emerged as new molecular players involved in carcinogenesis. Deregulation of miRNAs expression has been shown in different human cancer but the molecular mechanism underlying the alteration of miRNA expression is unknown. To identify

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