CAS 35490-04-1

Hexanoic acid, 2-acetyl-5-oxo-, methyl ester

Description:

Hexanoic acid, 2-acetyl-5-oxo-, methyl ester, with the CAS number 35490-04-1, is an organic compound characterized by its ester functional group. This substance is derived from hexanoic acid, a six-carbon fatty acid, and features an acetyl and a keto group, contributing to its unique reactivity and properties. Typically, it appears as a colorless to pale yellow liquid with a characteristic odor. The presence of the ester group suggests it is likely to be soluble in organic solvents while having limited solubility in water. Its molecular structure indicates potential applications in the synthesis of various chemical intermediates, flavoring agents, or fragrances due to its pleasant aroma. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. As with many organic compounds, safety data should be consulted to understand its handling, storage, and potential hazards.

Formula: C₉H₁₄O₄

InChI: InChI=1S/C9H14O4/c1-6(10)4-5-8(7(2)11)9(12)13-3/h8H,4-5H2,1-3H3

InChI key: InChIKey=XMLGBZPOJUOGOO-UHFFFAOYSA-N

SMILES: C(CCC(C)=O)(C(OC)=O)C(C)=O

Synonyms:

• Methyl 2-acetyl-5-oxohexanoate
• 2-Acetyl-5-oxo-hexanoic acid methyl ester
• Hexanoic acid, 2-acetyl-5-oxo-, methyl ester

2-Acetyl-5-oxo-hexanoic Acid Methyl Ester

Controlled Product

CAS: 35490-04-1

Applications 2-Acetyl-5-oxo-hexanoic Acid Methyl Ester is an intermediate in the synthesis of Methyl 5-Methyl-1-(1-phenylpropan-2-yl)-1H-pyrrole-2-carboxylate (M338390), which is an impurity of the drug Amphetamine (A634248).

Formula: C₉H₁₄O₄

Color and Shape: Neat

Molecular weight: 186.205

Ref: TR-A354900