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4-Phenylbutyric acid

CAS No.
1821-12-1
Chemical Name:
4-Phenylbutyric acid
Synonyms
4-PHENYLBUTANOIC ACID;PHENYLBUTYRIC ACID;Benzenebutanoic acid;Buphenyl;PHENYLBUTYRIC-4 ACID;NSC 295;4-benzene acid;AKOS BBS-00003749;4-PHENYBUTYTIC ACID;Benzenebutyric acid
CBNumber:
CB2385237
Molecular Formula:
C10H12O2
Molecular Weight:
164.2
MDL Number:
MFCD00004403
MOL File:
1821-12-1.mol
MSDS File:
SDS
Modify Date:
2022-07-30 20:18:02

4-Phenylbutyric acid Properties

Melting point 49-51 °C(lit.)
Boiling point 165 °C10 mm Hg(lit.)
Density 1.0326 (rough estimate)
refractive index 1.5405 (estimate)
Flash point >230 °F
storage temp. Sealed in dry,Room Temperature
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
InChIKey OBKXEAXTFZPCHS-UHFFFAOYSA-N
CAS DataBase Reference 1821-12-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 7WY7YBI87E
NCI Drug Dictionary Buphenyl
NIST Chemistry Reference 4-Phenylbutanoic acid(1821-12-1)
EPA Substance Registry System 4-Phenylbutyric acid (1821-12-1)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H335-H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
NFPA 704
1
1 0

4-Phenylbutyric acid price More Price(37)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich P21005 4-Phenylbutyric acid 99% 1821-12-1 25g $58.6 2022-05-15 Buy
Sigma-Aldrich P21005 4-Phenylbutyric acid 99% 1821-12-1 100g $172 2022-05-15 Buy
TCI Chemical P0643 4-Phenylbutyric Acid >98.0%(GC)(T) 1821-12-1 25g $55 2022-04-27 Buy
TCI Chemical P0643 4-Phenylbutyric Acid >98.0%(GC)(T) 1821-12-1 250g $323 2022-04-27 Buy
Alfa Aesar A18115 4-Phenylbutyric acid, 99% 1821-12-1 25g $53.7 2022-04-27 Buy
Product number Packaging Price Buy
P21005 25g $58.6 Buy
P21005 100g $172 Buy
P0643 25g $55 Buy
P0643 250g $323 Buy
A18115 25g $53.7 Buy

4-Phenylbutyric acid Chemical Properties,Uses,Production

Chemical Properties

4-Phenylbutyric acid is white to slightly yellowish crystalline powder. It is slightly soluble in chloroform and methanol. Its solubility in water is 5.3 g/l (at 40 °C).

Uses

4-Phenylbutyric acid is used as a chemical chaperone involved in protein-folding disorders. It is involved in the synthesis of dyes and an active pharmaceutical ingredient intermediate.

Uses

4-Phenylbutyric acid is used as organic intermediates.

Definition

4-Phenylbutyric acid is 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.

Preparation

4-phenylbutyric acid is obtained by the reaction of benzene with butyrolactone in the presence of aluminum chloride, followed by neutralization with base.
Synthesis of 4-phenylbutyric acid

Synthesis Reference(s)

Tetrahedron Letters, 32, p. 3309, 1991 DOI: 10.1016/S0040-4039(00)92693-5

General Description

4-Phenylbutyric acid (4-PBA) is a small-molecular-weight fatty acid with a terminal aromatic group, and its sodium salt (sodium 4-phenyl butyrate) has been used for the treatment of urea cycle disorders. This molecule is also used for the treatment of sickle cell diseases and thalassemia owing to its ability to activate β-globin transcription. Moreover, 4-PBA is employed as an orally bioavailable agent for the treatment of spinal muscular atrophy (SMA) and tumors.
Neuroprotective Effects of 4-phenylbutyric Acid and Its Derivatives: Possible Therapeutics for Neurodegenerative Diseases

Purification Methods

Crystallise the acid from pet ether (b 40-60o). [Beilstein 9 IV 1811.]

Global( 392)Suppliers
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View Lastest Price from 4-Phenylbutyric acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2022-03-29 4-Phenylbutyric acid
1821-12-1
US $10.00 / kg 1kg 0.99 10tons Henan Guange Biotechnology Co. LTD
2021-10-20 4-Phenylbutyric acid
1821-12-1
US $56.00 / KG 1KG 99% 9000kg/per week Hebei Lingding Biological Technology Co., Ltd
2021-07-13 4-Phenylbutyric acid
1821-12-1
US $15.00-10.00 / KG 1KG 99%+ HPLC Monthly supply of 1 ton Zhuozhou Wenxi import and Export Co., Ltd
  • 4-Phenylbutyric acid
    1821-12-1
  • US $15.00-10.00 / KG
  • 99%+ HPLC
  • Zhuozhou Wenxi import and Export Co., Ltd
GAMMA-PHENYL-N-BUTYRIC ACID GAMA-PHENYLBUTYRIC ACID AKOS BBS-00003749 4-PHENYL-N-BUTYRIC ACID 4-PHENYLBUTYRIC ACID benzenebutanoicacid Benzenebutyric acid Butyric acid, 4-phenyl- gamma-Phenylbutyric acid omega-Phenylbutanoic acid 4-PHENYBUTYTIC ACID 4-PhenylButyricAcid99% 4- Phenyl Butyric Acid 99% 4-Phenylbutyricacid98% 4-Phenylbutyric acid 4-phenylbutanoic acid 4-PHENYLBUTYRIC ACID pure TIMTEC-BB SBB008452 RARECHEM AL BO 0178 4-Phenylbutanoic acid 98% 4-Phenylbutyric acid≥ 99% (Assay) 4-benzene acid NSC 295 γ-Phenylbutanoic Acid 4-Phenylbutyric Acid, 97+% 4-PhenylbutyricAcid> 4-Phenylbutyric acid (4-PBA) p-Phenylbutyric acid 4-Phenyl butyroic acid Cinacalcet Impurity 6 (4-Phenylbutyric Acid) 4-PHENYLBUTYRIC ACID Extra Pure PHENYLBUTYRIC-4 ACID PHENYLBUTYRIC ACID 4-PHENYLBUTANOIC ACID Benzenebutanoic acid Buphenyl 1821-12-1 217-341-8 C6H5CH23CO2H C6H5CH23COOH C10 Carboxylic Acids Carbonyl Compounds Building Blocks Organic Building Blocks Aromatics Intermediates & Fine Chemicals Pharmaceuticals Carbonyl Compounds Carboxylic Acids Organic acids Pharmaceutical Raw Materials C10