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CAS 13051-48-4

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2-Methylpropyl 2-oxopropanoate

Description:
2-Methylpropyl 2-oxopropanoate, also known as isobutyl acetoacetate, is an organic compound characterized by its ester functional group. It features a branched alkyl chain, specifically a 2-methylpropyl group, attached to a 2-oxopropanoate moiety. This compound is typically a colorless to pale yellow liquid with a fruity odor, making it useful in flavoring and fragrance applications. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chain. The compound is known for its reactivity, particularly in condensation reactions and as a building block in organic synthesis, including the production of various pharmaceuticals and agrochemicals. Additionally, it may exhibit moderate toxicity, necessitating appropriate safety measures during handling. As with many esters, it can undergo hydrolysis in the presence of water and acids or bases, leading to the formation of the corresponding alcohol and carboxylic acid. Overall, 2-Methylpropyl 2-oxopropanoate is a versatile compound with significant applications in chemical synthesis and industry.
Formula:C7H12O3
InChI:InChI=1S/C7H12O3/c1-5(2)4-10-7(9)6(3)8/h5H,4H2,1-3H3
InChI key:InChIKey=WFERWTFFEKELDJ-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(C(C)=O)=O
Synonyms:
  • Pyruvic acid, isobutyl ester
  • Propanoic acid, 2-oxo-, 2-methylpropyl ester
  • 2-Methylpropyl 2-oxopropanoate
  • Isobutyl pyruvate
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