4-acetylbutyric acid
- CAS No.
- 3128-06-1
- Chemical Name:
- 4-acetylbutyric acid
- Synonyms
- 5-OXOHEXANOIC ACID;4-ACETYLBUTYRIC ACID;Glurate;5-Oxohexanoate;Ketohexanoicacid;5-oxo-hexanoicaci;5-Ketocaproic acid;RARECHEM AL BO 0242;5-KETOHEXANOIC ACID;γ-Acetylbutyric acid
- CBNumber:
- CB8196332
- Molecular Formula:
- C6H10O3
- Molecular Weight:
- 130.14
- MDL Number:
- MFCD00004412
- MOL File:
- 3128-06-1.mol
- MSDS File:
- SDS
| Melting point | 13-14 °C(lit.) |
|---|---|
| Boiling point | 274-275 °C(lit.) |
| Density | 1.09 g/mL at 25 °C(lit.) |
| refractive index |
n |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 4.63±0.10(Predicted) |
| form | Off-White Semi-Solid |
| color | Colorless to Red to Green |
| Water Solubility | Slightly soluble in water, chloroform and methanol. |
| BRN | 385840 |
| CAS DataBase Reference | 3128-06-1(CAS DataBase Reference) |
| FDA UNII | RO0W8YUJ2W |
| NIST Chemistry Reference | 4-Acetylbutyric acid(3128-06-1) |
| EPA Substance Registry System | Hexanoic acid, 5-oxo- (3128-06-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313 | |||||||||
| Risk Statements | 36/38 | |||||||||
| Safety Statements | 26-36-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29183000 | |||||||||
| NFPA 704 |
|
4-acetylbutyric acid price More Price(32)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | A13204 | 4-Acetylbutyric acid 97% | 3128-06-1 | 5g | $85.5 | 2024-03-01 | Buy |
| Sigma-Aldrich | A13204 | 4-Acetylbutyric acid 97% | 3128-06-1 | 25g | $124 | 2024-03-01 | Buy |
| TCI Chemical | K0014 | 5-Oxohexanoic Acid >98.0%(GC)(T) | 3128-06-1 | 5g | $199 | 2024-03-01 | Buy |
| TCI Chemical | K0014 | 5-Oxohexanoic Acid >98.0%(GC)(T) | 3128-06-1 | 25g | $642 | 2024-03-01 | Buy |
| Alfa Aesar | L03978 | 4-Acetylbutyric acid, 97% | 3128-06-1 | 5g | $44.65 | 2024-03-01 | Buy |
4-acetylbutyric acid Chemical Properties,Uses,Production
Chemical Properties
Liquid
Uses
4-Acetylbutyric acid may be used in the preparation of the following compounds:
5-hydroxyhexanoic acid
6-methyl1-3,4-dihydro-pyran-2-one, precursor for 5-acetyl-tetrahydro-2-(3H)-furanone
substituted N-aminolactams
(±)-5-methyl-δ-valerolactone
Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-Acetylbutyric acid
Uses
4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer.
Definition
ChEBI: 4-acetylbutyric acid is a medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group. It has a role as a bacterial xenobiotic metabolite. It is a 5-oxo monocarboxylic acid, an oxo fatty acid, a medium-chain fatty acid and a straight-chain fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 5-oxohexanoate.
Synthesis Reference(s)
Synthetic Communications, 10, p. 205, 1980 DOI: 10.1080/00397918008064223
Tetrahedron, 41, p. 2163, 1985 DOI: 10.1016/S0040-4020(01)96588-3
4-acetylbutyric acid Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Chembon Pharmaceutical Co., Ltd. | +86-28-8425-2981 | CHINA | 724 | 55 | |
| Nanjing ChemLin Chemical Industry Co., Ltd. | 025-83697070 | product@chemlin.com.cn | CHINA | 3012 | 60 |
| Zhejiang ZETian Fine Chemicals Co. LTD | 18957127338 | stella@zetchem.com | China | 2141 | 58 |
| Accela ChemBio Inc. | (+1)-858-699-3322 | info@accelachem.com | United States | 19965 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63711 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49391 | 58 |
| Hubei Ipure Biology Co., Ltd | +8613367258412 | ada@ipurechemical.com | China | 10326 | 58 |
| Career Henan Chemica Co | +86-0371-86658258 15093356674; | laboratory@coreychem.com | China | 30255 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | 0551-65418671 | sales@tnjchem.com | China | 34572 | 58 |
| CR Corporation Lomited | fred.wen@crcorporation.cn | CHINA | 12069 | 58 |
View Lastest Price from 4-acetylbutyric acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2021-07-02 | 5-Oxohexanoate
3128-06-1
|
US $15.00-10.00 / KG | 1KG | 99%+ HPLC | Monthly supply of 1 ton | Zhuozhou Wenxi import and Export Co., Ltd |
-
- 5-Oxohexanoate
3128-06-1
- US $15.00-10.00 / KG
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
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