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
| 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 |
| pka | 4.76(at 25℃) |
| form | Crystalline Powder |
| 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) |
| 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 |
|
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 | $66.1 | 2024-03-01 | Buy |
| Sigma-Aldrich | P21005 | 4-Phenylbutyric acid 99% | 1821-12-1 | 100g | $161 | 2024-03-01 | Buy |
| TCI Chemical | P0643 | 4-Phenylbutyric Acid >98.0%(GC)(T) | 1821-12-1 | 25g | $56 | 2024-03-01 | Buy |
| TCI Chemical | P0643 | 4-Phenylbutyric Acid >98.0%(GC)(T) | 1821-12-1 | 250g | $297 | 2024-03-01 | Buy |
| Alfa Aesar | A18115 | 4-Phenylbutyric acid, 99% | 1821-12-1 | 25g | $54.65 | 2024-03-01 | 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.
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
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Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Zhejiang ZETian Fine Chemicals Co. LTD | +8618957127338 | stella@zetchem.com | China | 2136 | 58 |
| Hebei Mojin Biotechnology Co., Ltd | +86 13288715578 +8613288715578 | sales@hbmojin.com | China | 12840 | 58 |
| Hebei Yanxi Chemical Co., Ltd. | +8617531190177 | peter@yan-xi.com | China | 5857 | 58 |
| Hebei Weibang Biotechnology Co., Ltd | +8617732866630 | bess@weibangbio.com | China | 18154 | 58 |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20287 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29791 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | info@dakenam.com | China | 18779 | 58 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21634 | 55 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 32957 | 60 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29884 | 58 |
View Lastest Price from 4-Phenylbutyric acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-11-18 | 4-Phenylbutyric acid
1821-12-1
|
US $41.00 / mg | 99.76% | 10g | TargetMol Chemicals Inc. | ||
 |
2024-10-31 | 4-Phenylbutyric acid
1821-12-1
|
US $0.00 / KG | 1KG | 99% | 500000kg | Hebei Weibang Biotechnology Co., Ltd | |
 |
2024-10-25 | 4-Phenylbutyric acid
1821-12-1
|
US $30.00-3.00 / kg | 1kg | 0.99 | 15 tons | Hebei Yanxi Chemical Co., Ltd. |
-
- 4-Phenylbutyric acid
1821-12-1
- US $41.00 / mg
- 99.76%
- TargetMol Chemicals Inc.
-
- 4-Phenylbutyric acid
1821-12-1
- US $0.00 / KG
- 99%
- Hebei Weibang Biotechnology Co., Ltd
-
- 4-Phenylbutyric acid
1821-12-1
- US $30.00-3.00 / kg
- 0.99
- Hebei Yanxi Chemical Co., Ltd.