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;4-acetylbutyri acid
- CBNumber:
- CB8196332
- Molecular Formula:
- C6H10O3
- Molecular Weight:
- 130.14
- MOL File:
- 3128-06-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/12 15:55:19
| 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) |
| 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(9)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | A13204 | 4-Acetylbutyric acid 97% | 3128-06-1 | 5G | ₹2857.8 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | A13204 | 4-Acetylbutyric acid 97% | 3128-06-1 | 25G | ₹10413.65 | 2022-06-14 | Buy |
| TCI Chemicals (India) | K0014 | 5-Oxohexanoic Acid min. 98.0 % | 3128-06-1 | 5G | ₹8900 | 2022-05-26 | Buy |
| ALFA India | ALF-L03978-14 | 4-Acetylbutyric acid, 97% | 3128-06-1 | 25g | ₹10088 | 2022-05-26 | Buy |
| TCI Chemicals (India) | K0014 | 5-Oxohexanoic Acid min. 98.0 % | 3128-06-1 | 25G | ₹42800 | 2022-05-26 | 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.
4-acetylbutyric acid Preparation Products And Raw materials
Raw materials
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| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5873 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Shaanxi Dideu Medichem Co. Ltd | +86-029-81138252 +86-18789408387 | China | 3957 | 58 | Inquiry |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | China | 18648 | 58 | Inquiry |
| Zhejiang ZETian Fine Chemicals Co. LTD | +8618957127338 | China | 2136 | 58 | Inquiry |
| Accela ChemBio Inc. | +1-858-6993322 | United States | 19479 | 58 | Inquiry |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | China | 49392 | 58 | Inquiry |
| Hubei Ipure Biology Co., Ltd | +8613367258412 | China | 10326 | 58 | Inquiry |
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