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116807 Sigma-Aldrich

3-Phenylbutyric acid

98%

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

  • CAS Number 4593-90-2

  • Linear Formula CH3CH(C6H5)CH2COOH

  • Molecular Weight 164.20

  •  Beilstein/REAXYS Number 2044322

  •  EC Number 224-987-4

  •  MDL number MFCD00002725

  •  PubChem Substance ID 24847305

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
InChI Key   ZZEWMYILWXCRHZ-UHFFFAOYSA-N
assay   98%
bp   170-172 °C/20 mmHg(lit.)
mp   35-38 °C (lit.)
density   1.515 g/mL at 25 °C (lit.)

Description

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.

Packaging

5, 25 g in glass bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 116807.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
230 °F
Flash Point(C) 
110 °C
Protocols & Articles
Peer-Reviewed Papers
15

References

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