P21005

4-Phenylbutyric acid

99%

• Synonym(s): γ-Phenylbutanoic acid, ψ-Phenylbutanoic acid, 4-Phenyl-n-butyric acid, 4-Phenylbutanoic acid, Benzenebutyric acid
• Linear Formula: C₆H₅(CH₂)₃COOH
• CAS Number: 1821-12-1
• Molecular Weight: 164.20
• Beilstein/REAXYS Number: 638180
• EC Number: 217-341-8
• MDL number: MFCD00004403
• UNSPSC Code: 12352100
• PubChem Substance ID: 24898272
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 99%
• form: crystals
• 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.

Safety Information

• 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)