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P21005

4-Phenylbutyric acid

Name: 4-Phenylbutyric acid
Brand: ALDRICH

99%

Synonym(s):

γ-Phenylbutanoic acid, ψ-Phenylbutanoic acid, 4-Phenyl-n-butyric acid, 4-Phenylbutanoic acid, Benzenebutyric acid

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About This Item

Linear Formula:

C₆H₅(CH₂)₃COOH

CAS Number:

1821-12-1

Molecular Weight:

164.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24898272

EC Number:

217-341-8

Beilstein/REAXYS Number:

638180

MDL number:

MFCD00004403

Assay:

99%

Form:

crystals

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Properties

Quality Segment

200

assay

99%

form

crystals

bp

165 °C/10 mmHg (lit.)

mp

49-51 °C (lit.)

functional group

phenyl

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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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