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CAS 30414-54-1

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Hexanoic acid, 3-oxo-, methyl ester

Description:
Hexanoic acid, 3-oxo-, methyl ester, also known as methyl 3-oxohexanoate, is an organic compound characterized by its ester functional group derived from hexanoic acid. It features a six-carbon chain with a ketone functional group at the third carbon position, contributing to its reactivity and properties. This compound is typically a colorless to pale yellow liquid with a fruity odor, making it appealing in flavor and fragrance applications. It is soluble in organic solvents and exhibits moderate solubility in water due to its ester nature. Hexanoic acid derivatives are often used in the synthesis of various chemicals, including pharmaceuticals and agrochemicals. The presence of the ketone group enhances its potential for further chemical transformations, such as condensation reactions. Additionally, it may exhibit biological activity, making it of interest in biochemical research. As with many organic compounds, safety precautions should be taken when handling it, as it may cause irritation to the skin and eyes.
Formula:C7H12O3
InChI:InChI=1/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3
InChI key:InChIKey=SJPCQNABHNCLPB-UHFFFAOYSA-N
SMILES:C(C(CCC)=O)C(OC)=O
Synonyms:
  • 3-Keto-n-hexanoic acid methyl ester
  • 3-Oxohexanoic acid methyl ester
  • Caproic acid, β-oxo-, methyl ester
  • Hexanoic acid, 3-oxo-, methyl ester
  • Methyl 3-Oxohexanoate
  • Methyl 3-ketohexanoate
  • Methyl 3-oxocaproate
  • Methyl Butyryl Acetate
  • Methyl butyrylacetate
  • Butyrylacetic acid,methyl ester
  • See more synonyms
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