4-acetylbutyric acid

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;4-acetylbutyri 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)
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
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

Shaanxi Dideu Medichem Co. Ltd

Product: 4-acetylbutyri acid 3128-06-1
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20T
Release date: 2024-08-11

Shaanxi Dideu Medichem Co. Ltd

Product: 5-Ketocaproic acid 3128-06-1
Price: US $1.00/Kg
Min. Order: 1Kg
Purity: 98%
Supply Ability: 20T
Release date: 2024-07-07

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

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128-06-1

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