CAS 3128-06-1

4-acetylbutyric acid

Description:

4-Acetylbutyric acid, with the CAS number 3128-06-1, is an organic compound characterized by its carboxylic acid functional group and an acetyl substituent on the butyric acid backbone. It typically appears as a colorless to pale yellow liquid with a distinctive odor. The molecular structure consists of a four-carbon chain with a carboxylic acid group (-COOH) at one end and an acetyl group (-COCH3) attached to the fourth carbon. This compound is soluble in water and organic solvents, making it versatile for various applications. It is often used in organic synthesis and as an intermediate in the production of pharmaceuticals and other chemical products. The presence of both the carboxylic acid and acetyl groups contributes to its reactivity, allowing it to participate in various chemical reactions, such as esterification and acylation. Additionally, 4-acetylbutyric acid may exhibit biological activity, although specific biological properties would require further investigation. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₆H₉O₃

InChI: InChI=1/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

InChI key: InChIKey=MGTZCLMLSSAXLD-UHFFFAOYSA-N

SMILES: C(CC(C)=O)CC(O)=O

Synonyms:

• 5-Ketocaproic acid
• 5-Ketohexanoic acid
• 5-Ketohexanoic acid~5-Oxohexanoic acid
• 5-Oxocaproic acid
• 5-Oxohexanoic Acid
• Caproic acid, δ-oxo-
• Hexanoic acid, 5-oxo-
• Ketohexanoicacid
• NSC 5281
• γ-Acetylbutyric acid
• δ-Ketocaproic acid
• δ-Ketohexanoic acid
• δ-Oxocaproic acid
• RARECHEM AL BO 0242
• 5-oxo-hexanoicaci
• delta-Oxocaproic acid
• gamma-Acetylbutyric acid
• 5-Oxohexanoate
• delta-Ketocaproic acid

5-Oxohexanoic Acid

CAS: 3128-06-1

Formula: C₆H₁₀O₃

Purity: >98.0%(GC)(T)

Color and Shape: Colorless to Red to Green clear liquid

Molecular weight: 130.14

Ref: 3B-K0014

4-Acetylbutyric acid, 97%

CAS: 3128-06-1

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. This Thermo Scientific Chemicals brand product was originally part o

Formula: C₆H₁₀O₃

Purity: 97%

Color and Shape: Liquid, Clear colorless to yellow or brown

Molecular weight: 130.14

Ref: 02-L03978

4-Acetylbutyric acid

CAS: 3128-06-1

Formula: C₆H₁₀O₃

Purity: 98%

Color and Shape: Liquid

Molecular weight: 130.1418

Ref: IN-DA003MY4

4-Acetylbutyric acid

CAS: 3128-06-1

4-Acetylbutyric acid is a ketone acid widely used in biochemical experiments and drug synthesis research.

Formula: C₆H₁₀O₃

Purity: 99.88%

Color and Shape: Solid

Molecular weight: 130.14

Ref: TM-TN9187

4-Acetylbutyric acid

CAS: 3128-06-1

4-Acetylbutyric acid

Purity: 95%

Molecular weight: 130.14g/mol

Ref: 54-OR917515

4-Acetylbutyric acid

CAS: 3128-06-1

Formula: C₆H₁₀O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 130.143

Ref: 10-F208771

4-Acetylbutyric Acid

Controlled Product

CAS: 3128-06-1

Applications 4-Acetylbutyric Acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. Also used to prepare PARP inhibitors for the treatment of cancer as well.
References Liedtke, A. et al.: J. Med. Chem., 56, 2429 (2013); Zhu, G. et al.: Bioorg. Med. Chem., 20, 4653 (2012);

Formula: C₆H₁₀O₃

Color and Shape: Neat

Molecular weight: 130.14

Ref: TR-A168440

4-Acetylbutyric acid

CAS: 3128-06-1

4-Acetylbutyric acid is a monocarboxylic acid that is synthesized from levulinate. It has been shown to be an intermediate in the biosynthesis of amides and 2,6-dihydroxybenzoic acid. The reaction is catalyzed by an enzyme called acetyl coenzyme A synthetase and requires activation energies of −7.5 kJ/mol for the conversion of levulinate to 4-acetylbutyric acid. This organic compound has a kinetic constant of 1.1 × 10 M−1s−1 at 25°C and pH 7, with a pK value of 3.9 at 25°C; it also has amines and carboxylic functional groups, as well as a carbon source requirement.

Formula: C₆H₁₀O₃

Purity: Min. 95 Area-%

Color and Shape: Powder

Molecular weight: 130.14 g/mol

Ref: 3D-FA159384