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CAS 1522-34-5

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Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester

Description:
Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester, commonly referred to as ethyl 2-acetyl-4-methylpentanoate, is an ester derived from pentanoic acid and 2-acetyl-4-methyl alcohol. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, characteristic of many esters. It is soluble in organic solvents and exhibits low solubility in water due to its hydrophobic alkyl chains. The molecular structure features a pentanoic acid backbone with an acetyl group and a methyl group, contributing to its unique properties. This compound is often used in flavoring and fragrance applications, as well as in organic synthesis. Its boiling point and melting point are influenced by the molecular interactions and the presence of functional groups. Additionally, it may exhibit moderate volatility and can participate in various chemical reactions typical of esters, such as hydrolysis and transesterification. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C10H18O3
InChI:InChI=1S/C10H18O3/c1-5-13-10(12)9(8(4)11)6-7(2)3/h7,9H,5-6H2,1-4H3
InChI key:InChIKey=ZGULNKYAODXSCS-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(CC(C)C)C(C)=O
Synonyms:
  • 2-Acetyl-4-methylpentanoic acid ethyl ester
  • Ethyl 2-Acetyl-4-Methylpentanoate
  • Ethyl 2-acetyl-4-methylvalerate
  • Ethyl 2-isobutylacetylacetate
  • Ethyl, 2-Isobutyl Acetoacetate
  • Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester
  • Valeric acid, 2-acetyl-4-methyl-, ethyl ester
  • Ethyl 2-isobutylacetoacetate
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