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CAS 51756-09-3

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

Description:
Pentanoic acid, 2-acetyl-4-methyl-, methyl ester, also known as methyl 2-acetyl-4-methylpentanoate, is an ester derived from pentanoic acid. It features a five-carbon chain with a carboxylic acid group, which is esterified with methanol. This compound typically exhibits a fruity aroma, making it useful in flavoring and fragrance applications. It is a colorless to pale yellow liquid at room temperature and is soluble in organic solvents, while having limited solubility in water due to its hydrophobic alkyl chain. The presence of both an acetyl and a methyl group contributes to its unique chemical properties and reactivity. In terms of safety, like many esters, it may pose risks if inhaled or ingested, and appropriate handling precautions should be taken. Its applications extend to the food industry, as well as in the synthesis of other chemical compounds. Overall, pentanoic acid, 2-acetyl-4-methyl-, methyl ester is a versatile compound with notable sensory characteristics.
Formula:C9H16O3
InChI:InChI=1S/C9H16O3/c1-6(2)5-8(7(3)10)9(11)12-4/h6,8H,5H2,1-4H3
InChI key:InChIKey=DMKUCMYAMVVGLJ-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(CC(C)C)C(C)=O
Synonyms:
  • Pentanoic acid, 2-acetyl-4-methyl-, methyl ester
  • Methyl 2-acetyl-4-methylpentanoate
  • Methyl α-isobutylacetoacetate
  • 2-Acetyl-4-methylpentanoic acid methyl ester
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