4-acetylbutyric acid
- Product Name
- 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;5-KETOHEXANOIC ACID;RARECHEM AL BO 0242;γ-Acetylbutyric acid
- CBNumber
- CB8196332
- Molecular Formula
- C6H10O3
- Formula Weight
- 130.14
- MOL File
- 3128-06-1.mol
4-acetylbutyric acid Property
- Melting point:
- 13-14 °C(lit.)
- Boiling point:
- 274-275 °C(lit.)
- Density
- 1.09 g/mL at 25 °C(lit.)
- refractive index
- n20/D 1.4451(lit.)
- 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 Statements
- 36/38
- Safety Statements
- 26-36-24/25
- WGK Germany
- 3
- TSCA
- Yes
- HS Code
- 29183000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- A13204
- Product name
- 4-Acetylbutyric acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $85.5
- Updated
- 2024/03/01
- Product number
- A13204
- Product name
- 4-Acetylbutyric acid
- Purity
- 97%
- Packaging
- 25g
- Price
- $124
- Updated
- 2024/03/01
- Product number
- K0014
- Product name
- 5-Oxohexanoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $199
- Updated
- 2024/03/01
- Product number
- K0014
- Product name
- 5-Oxohexanoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $642
- Updated
- 2024/03/01
- Product number
- L03978
- Product name
- 4-Acetylbutyric acid, 97%
- Packaging
- 5g
- Price
- $44.65
- Updated
- 2024/03/01
4-acetylbutyric acid Chemical Properties,Usage,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
Preparation Products
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View Lastest Price from 4-acetylbutyric acid manufacturers
- Product
- 5-Oxohexanoate 3128-06-1
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-06-27