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P21005 Sigma-Aldrich

4-Phenylbutyric acid

99%

  • CAS Number 1821-12-1

  • Linear Formula C6H5(CH2)3COOH

  • Molecular Weight 164.20

  •  Beilstein/REAXYS Number 638180

  •  EC Number 217-341-8

  •  MDL number MFCD00004403

  •  PubChem Substance ID 24898272

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Cell Biology,
Quality Level   200
assay   99%
bp   165 °C/10 mmHg (lit.)
mp   49-51 °C (lit.)
SMILES string   OC(=O)CCCc1ccccc1
InChI   1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChI key   OBKXEAXTFZPCHS-UHFFFAOYSA-N

Description

General description

4-Phenylbutyric acid (4-PBA) is used in the treatment of urea cycle disorders.

Application

4-PBA has been used as a selective inhibitor of endoplasmic reticulum stress (ERS).
It can also be used as a reactant in the synthesis of:
• 1-Tetralone using Lewis acid catalyst.
• 4,N-diphenylbutyramide.

Packaging

25, 100 g in poly bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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