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About This Item
Linear Formula:
C6H5(CH2)3COOH
CAS Number:
Molecular Weight:
164.20
Beilstein:
638180
EC Number:
MDL number:
UNSPSC Code:
12352100
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:
It can also be used as a reactant in the synthesis of:
- 1-Tetralone using Lewis acid catalyst.
- 4,N-diphenylbutyramide.
Storage Class Code
11 - 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
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