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P21005

Sigma-Aldrich

4-Phenylbutyric acid

99%

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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:
Molecular Weight:
164.20
Beilstein/REAXYS Number:
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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1 of 4

This Item
279889P20955116807
vibrant-m

P21005

4-Phenylbutyric acid

vibrant-m

279889

(S)-(+)-2-Phenylbutyric acid

vibrant-m

P20955

2-Phenylbutyric acid

vibrant-m

116807

3-Phenylbutyric acid

Quality Level

200

Quality Level

100

Quality Level

100

Quality Level

100

bp

165 °C/10 mmHg (lit.)

bp

98-100 °C/0.3 mmHg (lit.)

bp

270-272 °C (lit.)

bp

170-172 °C/20 mmHg (lit.)

form

crystals

form

-

form

crystals

form

solid

mp

49-51 °C (lit.)

mp

-

mp

39-42 °C (lit.)

mp

35-38 °C (lit.)

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_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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3-Phenylbutyric acid 98%

Sigma-Aldrich

116807

3-Phenylbutyric acid

2-Phenylbutyric acid 98%

Sigma-Aldrich

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2-Phenylbutyric acid

methyl 4-phenylbutanoate AldrichCPR

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Sigma-Aldrich

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Thapsigargin

Induction of apoptosis coupled to endoplasmic reticulum stress through regulation of CHOP and JNK in bone marrow mesenchymal stem cells from patients with systemic lupus erythematosus
Guo G, et al.
Journal of immunology research (2015)
Min Han Kim et al.
Clinical and experimental otorhinolaryngology, 12(2), 181-189 (2018-10-20)
Endoplasmic reticulum (ER) stress is known to be associated with inflammatory airway diseases, and three major transmembrane receptors: double-stranded RNA-activated protein kinase-like ER kinase, inositol requiring enzyme 1, and activating transcription factor 6 (ATF6) play important roles in ER stress-related
Synthesis of 1-tetralones by intramolecular Friedel?Crafts reaction of 4-arylbutyric acids using Lewis acid catalysts
Cui DM, et al.
Tetrahedron Letters, 44(21), 4007-4010 (2003)
Clean, reusable and low cost heterogeneous catalyst for amide synthesis
Comerford JW, et al.
Chemical Communications (Cambridge, England), 18(21), 2562-2564 (2009)
The therapeutic effects of 4-phenylbutyric acid in maintaining proteostasis.
Kolb PS, et al.
The International Journal of Biochemistry & Cell Biology, 61, 45-52 (2015)

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