Merck
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P21005

Sigma-Aldrich

4-Phenylbutyric acid

99%

Linear Formula:
C6H5(CH2)3COOH
CAS Number:
Molecular Weight:
164.20
Beilstein:
638180
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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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

Storage Class Code

13 - Non 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

Certificate of Analysis

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Certificate of Origin

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