4-acetylbutyric acid
- CAS No.
- 3128-06-1
- Chemical Name:
- 4-acetylbutyric acid
- Synonyms
- 5-OXOHEXANOIC ACID;4-ACETYLBUTYRIC ACID;5-Oxohexanoate;Glurate;Ketohexanoicacid;5-oxo-hexanoicaci;5-Ketocaproic acid;RARECHEM AL BO 0242;5-KETOHEXANOIC ACID;4-acetylbutyri acid
- CBNumber:
- CB8196332
- Molecular Formula:
- C6H10O3
- Molecular Weight:
- 130.14
- MDL Number:
- MFCD00004412
- MOL File:
- 3128-06-1.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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) |
| form | Off-White Semi-Solid |
| pka | 4.63±0.10(Predicted) |
| color | Colorless to Red to Green |
| Water Solubility | Slightly soluble in water, chloroform and methanol. |
| BRN | 385840 |
| InChI | 1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9) |
| InChIKey | MGTZCLMLSSAXLD-UHFFFAOYSA-N |
| SMILES | CC(=O)CCCC(O)=O |
| 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) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
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 | |||||||||
| PPE | Eyeshields, Gloves | |||||||||
| Risk Statements | 36/38 | |||||||||
| Safety Statements | 26-36-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29183000 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| NFPA 704 |
|
4-acetylbutyric acid price More Price(65)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | A13204 | 4-Acetylbutyric acid 97% | 3128-06-1 | 5g | $93.8 | 2026-04-30 | Buy |
| Sigma-Aldrich | A13204 | 4-Acetylbutyric acid 97% | 3128-06-1 | 25g | $341 | 2026-04-30 | Buy |
| TCI Chemical | K0014 | 5-Oxohexanoic Acid >98.0%(GC)(T) | 3128-06-1 | 5g | $169 | 2026-04-30 | Buy |
| TCI Chemical | K0014 | 5-Oxohexanoic Acid >98.0%(GC)(T) | 3128-06-1 | 25g | $546 | 2026-04-30 | Buy |
| TRC | TRC-A168440-50G | 4-Acetylbutyric Acid | 3128-06-1 | 50g | $396 | 2026-06-03 | Buy |
4-acetylbutyric acid Chemical Properties,Uses,Production
Chemical Properties
Liquid
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.
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
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 | |
|---|---|---|---|---|---|
| Anyang Hongmeng New Materials Co., Ltd. | 19588588067 | 19588588067@163.com | China | 9980 | 58 |
| Chongqing TianyiHenghua Technology Co., Ltd. | 15086758486; 15086758486 | chemtyhh@163.com | China | 93 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Chembon Pharmaceutical Co., Ltd. | 028-84252981 18583719936 | sales@chembon.com.cn | China | 854 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
View Lastest Price from 4-acetylbutyric acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-08-12 | 4-acetylbutyri acid
3128-06-1
|
$1.00 | 1KG | 99% | 20T | Shaanxi Dideu Medichem Co. Ltd | |
 |
2024-07-07 | 5-Ketocaproic acid
3128-06-1
|
$1.00 | 1Kg | 98% | 20T | Shaanxi Dideu Medichem Co. Ltd | |
 |
2021-07-02 | 5-Oxohexanoate
3128-06-1
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd |
-
- 4-acetylbutyri acid
3128-06-1
- $1.00
- 99%
- Shaanxi Dideu Medichem Co. Ltd
-
- 5-Ketocaproic acid
3128-06-1
- $1.00
- 98%
- Shaanxi Dideu Medichem Co. Ltd
-
- 5-Oxohexanoate
3128-06-1
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
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