ChemicalBook > CAS DataBase List > 4-Phenylbutyric acid

4-Phenylbutyric acid

Product Name
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;Benzenebutyric acid;benzenebutanoicacid
CBNumber
CB2385237
Molecular Formula
C10H12O2
Formula Weight
164.2
MOL File
1821-12-1.mol
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4-Phenylbutyric acid Property

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. Almost insoluble in water, soluble in alcohol and oils
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
LogP
2.420
CAS DataBase Reference
1821-12-1(CAS DataBase Reference)
NIST Chemistry Reference
4-Phenylbutanoic acid(1821-12-1)
EPA Substance Registry System
4-Phenylbutyric acid (1821-12-1)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
P21005
Product name
4-Phenylbutyric acid
Purity
99%
Packaging
25g
Price
$66.1
Updated
2024/03/01
Sigma-Aldrich
Product number
P21005
Product name
4-Phenylbutyric acid
Purity
99%
Packaging
100g
Price
$161
Updated
2024/03/01
TCI Chemical
Product number
P0643
Product name
4-Phenylbutyric Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$56
Updated
2024/03/01
TCI Chemical
Product number
P0643
Product name
4-Phenylbutyric Acid
Purity
>98.0%(GC)(T)
Packaging
250g
Price
$297
Updated
2024/03/01
Alfa Aesar
Product number
A18115
Product name
4-Phenylbutyric acid, 99%
Packaging
25g
Price
$54.65
Updated
2024/03/01
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4-Phenylbutyric acid Chemical Properties,Usage,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.

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

Application

4-Phenylbutyric acid (4-PBA) is used in the treatment of urea cycle disorders under the trade name Buphenyl. 4-PBA has been used as a selective inhibitor of endoplasmic reticulum stress (ERS).
4-Phenylbutyric acid is used as organic intermediates. It can also be used as a reactant in the synthesis of:
1-Tetralone using Lewis acid catalyst.
4,N-diphenylbutyramide.

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.

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.]

4-Phenylbutyric acid Preparation Products And Raw materials

Raw materials

Acetone Carbon tetrachloride Aluminum chloride Benzene Hydrochloric acid Methanol Sodium hydroxide Activated carbon Gamma Butyrolactone

Preparation Products

METHYL 3-(4-CHLOROSULFONYL)PHENYLPROPIONATE Methyl 4-phenylbutanoate Imidapril Chlorambucil 1-Tetralone ETHYL 4-PHENYLBUTYRATE METHYL 4-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTYRATE
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4-Phenylbutyric acid Suppliers

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View Lastest Price from 4-Phenylbutyric acid manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
4-Phenylbutyric acid 1821-12-1
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-31
Hebei Yanxi Chemical Co., Ltd.
Product
4-Phenylbutyric acid 1821-12-1
Price
US $30.00-3.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
15 tons
Release date
2023-10-08
Shanghai Joiny Pharmaceutical Co.,LTD
Product
4-Phenylbutyric acid 1821-12-1
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
500kg
Release date
2022-12-09

1821-12-1, 4-Phenylbutyric acidRelated Search:

Hydrocortisone-17-butyrate 4-Aminobutyric acid Indole-3-butyric acid Isobutyric acid Butyric Acid 4-Phenylbutanol Chlorambucil (E)-1-HEXENE-1,2-DIBORONIC ACID BIS(PINACOL) ESTER N-TETRADECYLBORONIC ACID 1-Nonaneboronic acid FERROCENEBORONIC ACID 1-Hexaneboronic acid 1-CIS-1,2-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)HEPTENE 4-(4-Aminophenyl)butyric acid CYCLOPENTEN-1-YLBORONIC ACID 1-Octylboronic acid Cyclopentylboronic acid (R)-(-)-2-HYDROXY-4-PHENYLBUTYRIC ACID

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  • 4-Phenylbutyric acid≥ 99% (Assay)
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  • 4-Phenyl butyroic acid
  • Cinacalcet Impurity 6 (4-Phenylbutyric Acid)
  • 4-PHENYLBUTYRIC ACID Extra Pure
  • Entacapone Impurity 35
  • 4-Phenylbutyric Acid, ≥ 98.0%
  • Phenylbutyrate (Acid)
  • 1821-12-1
  • 217-341-8
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