4-Phenylbutyric acid Basic information
Product Name: 4-Phenylbutyric acid
Synonyms: TIMTEC-BB SBB008452;RARECHEM AL BO 0178;PHENYLBUTYRIC-4 ACID;PHENYLBUTYRIC ACID;GAMMA-PHENYL-N-BUTYRIC ACID;GAMA-PHENYLBUTYRIC ACID;AKOS BBS-00003749;4-PHENYL-N-BUTYRIC ACID
CAS: 1821-12-1
MF: C10H12O2
MW: 164.2
EINECS: 217-341-8
Product Categories: Pharmaceutical Raw Materials;Organic acids;C10;Carbonyl Compounds;Carboxylic Acids;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
Mol File: 1821-12-1.mol
4-Phenylbutyric acid Structure
4-Phenylbutyric acid Chemical Properties
Melting point 49-51 °C(lit.)
Boiling point 165 °C10 mm Hg(lit.)
Fp >230 °F
storage temp. Store below +30°C.
solubility 5.3g/l
form Crystalline Powder
pka 4.76(at 25℃)
color White to slightly yellow
Water Solubility 5.3 g/L at 40 ºC
BRN 638180
CAS DataBase Reference 1821-12-1(CAS DataBase Reference)
NIST Chemistry Reference 4-Phenylbutanoic acid(1821-12-1)
EPA Substance Registry System Benzenebutanoic acid(1821-12-1)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 22-24/25-36-26
WGK Germany 3
Hazard Note Irritant
TSCA Yes
HS Code 29163900
MSDS Information
Provider Language
4-Phenylbutanoic acid English
ACROS English
SigmaAldrich English
ALFA English
4-Phenylbutyric acid Usage And Synthesis
Chemical Properties white to slightly yellowish crystalline powder
Uses A chemical chaperone involved in protein-folding disorders.
Uses 4-phenylbutanoic acid is used as organic intermediates.
Definition ChEBI: A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apopto is in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.
4-Phenylbutyric acid Preparation Products And Raw materials
Preparation Products Imidapril-->1-Tetralone-->METHYL 4-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTYRATE-->METHYL 3-(4-CHLOROSULFONYL)PHENYLPROPIONATE-->Chloroambucil -->ETHYL 4-PHENYLBUTYRATE-->METHYL 4-PHENYLBUTYRATE
Raw materials Sodium hydroxide-->Hydrochloric acid-->Methanol-->Acetone-->Benzene-->Aluminium chloride-->Carbon tetrachloride-->Activated carbon-->gamma-Butyrolactone