4-Phenylbutyric acid
- CAS No.
- 1821-12-1
- Chemical Name:
- 4-Phenylbutyric acid
- Synonyms
- 4-PHENYLBUTANOIC ACID;PHENYLBUTYRIC ACID;Benzenebutanoic acid;Buphenyl;Benzenebutyric acid;PHENYLBUTYRIC-4 ACID;NSC 295;4-benzene acid;AKOS BBS-00003749;4-PHENYBUTYTIC ACID
- CBNumber:
- CB2385237
- Molecular Formula:
- C10H12O2
- Molecular Weight:
- 164.2
- MDL Number:
- MFCD00004403
- MOL File:
- 1821-12-1.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
| 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) |
| InChIKey | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| SMILES | OC(=O)CCCc1ccccc1 |
| 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) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
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 | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 22-24/25-36-26 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29163900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
4-Phenylbutyric acid price More Price(89)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | P21005 | 4-Phenylbutyric acid 99% | 1821-12-1 | 25g | $72.5 | 2026-04-30 | Buy |
| Sigma-Aldrich | P21005 | 4-Phenylbutyric acid 99% | 1821-12-1 | 100g | $176 | 2026-04-30 | Buy |
| TCI Chemical | P0643 | 4-Phenylbutyric Acid >98.0%(GC)(T) | 1821-12-1 | 25g | $50 | 2026-04-30 | Buy |
| TCI Chemical | P0643 | 4-Phenylbutyric Acid >98.0%(GC)(T) | 1821-12-1 | 250g | $267 | 2026-04-30 | Buy |
| Usbiological | 286838 | 4-Phenylbutyric Acid ≥98% | 1821-12-1 | 10g | $192 | 2026-06-03 | 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.
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
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.
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
1of3
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Nanjing Weiyuan Biomedical Co., Ltd. | 17611011830 | syrz2020@gamil.com | China | 43 | 58 |
| Nantong Xiaochang Pharmaceutical Trading Co., Ltd. | 0513-82104991 18862997351 | sales11@btcpharm.com | China | 859 | 58 |
| Zhejiang zetian fine chemical co. LTD | 0571-87322520 18957127338 | sales@zetchem.com | China | 442 | 58 |
| Shanghai Joiny Pharmaceutical Co.,Ltd. | 13681955282 | gyd@joiny-pharma.com | China | 431 | 58 |
| Nantong Subei Chemical Raw Materials Co., Ltd. | 0513-85290972 18762756250 | ntsbhg@163.com | China | 9277 | 58 |
| Huaian Jiamu Biotechnology Co., Ltd. | 0517-83187139 18205232085 | cai@jiamu-bio.com | China | 3000 | 58 |
| Wuhan Huaxiang Kejie Biotechnology Co., Ltd | 027-86638848 18627828293 | 3507625507@qq.com | China | 1508 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| INTATRADE GmbH | +49 3493/605464 | sales@intatrade.de | Germany | 3563 | 66 |
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- Feb 9,2026
View Latest Price from 4-Phenylbutyric acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-02 | 4-Phenylbutyric acid
1821-12-1
|
$5.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd | ||
 |
2026-08-26 | 4-Phenylbutyric acid
1821-12-1
|
$39.00 | 99.72% | 10g | TargetMol Chemicals Inc. | ||
 |
2025-12-24 | 4-Phenylbutyric acid
1821-12-1
|
1KG | 99.0% | 1000 tons | Shaanxi Dideu Medichem Co. Ltd |
-
- 4-Phenylbutyric acid
1821-12-1
- $5.00
- 99%
- Henan Fengda Chemical Co., Ltd
-
- 4-Phenylbutyric acid
1821-12-1
- $39.00
- 99.72%
- TargetMol Chemicals Inc.
-
- 4-Phenylbutyric acid
1821-12-1
- $0.10
- 99.0%
- Shaanxi Dideu Medichem Co. Ltd
