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CAS 1902-03-0

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Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate

Description:
Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate, with the CAS number 1902-03-0, is an organic compound that belongs to the class of esters. It is characterized by its structure, which includes a hexanoate backbone with a ketone functional group and an ethyl ester group. This compound typically exhibits a pleasant, fruity odor, making it useful in flavoring and fragrance applications. It is generally a colorless to pale yellow liquid at room temperature and is soluble in organic solvents, while being less soluble in water due to its hydrophobic nature. Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate can be synthesized through various organic reactions, including esterification and acylation processes. Its chemical properties include reactivity towards nucleophiles and potential participation in condensation reactions. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled. Overall, this compound is of interest in both synthetic organic chemistry and industrial applications.
Formula:C12H22O3
InChI:InChI=1S/C12H22O3/c1-6-15-12(14)11(9(4)5)10(13)7-8(2)3/h8-9,11H,6-7H2,1-5H3
InChI key:InChIKey=OTGHQCUPQMXJRO-UHFFFAOYSA-N
SMILES:C(C(CC(C)C)=O)(C(OCC)=O)C(C)C
Synonyms:
  • Hexanoic acid, 2-isopropyl-5-methyl-3-oxo-, ethyl ester
  • Isoenanthic acid, α-isopropyl-β-oxo-, ethyl ester
  • NSC 422
  • Hexanoic acid, 5-methyl-2-(1-methylethyl)-3-oxo-, ethyl ester
  • Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate
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