ChemicalBook > CAS DataBase List > 4-acetylbutyric acid

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
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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)
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Safety

Risk Statements 
36/38
Safety Statements 
26-36-24/25
WGK Germany 
3
TSCA 
Yes
HS Code 
29183000
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
A13204
Product name
4-Acetylbutyric acid
Purity
97%
Packaging
5g
Price
$85.5
Updated
2024/03/01
Sigma-Aldrich
Product number
A13204
Product name
4-Acetylbutyric acid
Purity
97%
Packaging
25g
Price
$124
Updated
2024/03/01
TCI Chemical
Product number
K0014
Product name
5-Oxohexanoic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$199
Updated
2024/03/01
TCI Chemical
Product number
K0014
Product name
5-Oxohexanoic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$642
Updated
2024/03/01
Alfa Aesar
Product number
L03978
Product name
4-Acetylbutyric acid, 97%
Packaging
5g
Price
$44.65
Updated
2024/03/01
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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

1,3-Cyclohexanedione

Preparation Products

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4-acetylbutyric acid Suppliers

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View Lastest Price from 4-acetylbutyric acid manufacturers

Zhuozhou Wenxi import and Export Co., Ltd
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

3128-06-1, 4-acetylbutyric acidRelated Search:

Indole-3-butyric acid Allyl hexanoate EPA Methyl hexanoate CELLULOSE ACETATE BUTYRATE 4-Aminobutyric acid Folic acid 6-Aminocaproic acid Chlorambucil Hexyl hexanoate Butyric Acid Citric acid Hydrocortisone-17-butyrate Ethyl Hexanoate Ascoric Acid 4-BENZOYLBUTYRIC ACID Ethyl 4-acetylbutyrate DIETHYL 2-ACETYLGLUTARATE

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