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CAS 5166-53-0

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5-Methyl-3-hexen-2-one

Description:
5-Methyl-3-hexen-2-one, with the CAS number 5166-53-0, is an organic compound classified as a ketone. It features a six-carbon chain with a double bond and a methyl group, contributing to its unique structure and reactivity. This compound is characterized by its distinct odor, which is often described as fruity or floral, making it of interest in the flavor and fragrance industries. It is a colorless to pale yellow liquid at room temperature and is soluble in organic solvents. The presence of the double bond in its structure imparts reactivity, allowing it to participate in various chemical reactions, such as addition and oxidation. Additionally, 5-Methyl-3-hexen-2-one can be synthesized through several methods, including the condensation of appropriate precursors. Its applications extend beyond flavoring and fragrance, as it may also serve as an intermediate in organic synthesis. Safety data indicates that, like many organic compounds, it should be handled with care to avoid inhalation or skin contact.
Formula:C7H12O
InChI:InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3
InChI key:InChIKey=IYMKNYVCXUEFJE-UHFFFAOYSA-N
SMILES:C(=CC(C)=O)C(C)C
Synonyms:
  • 2-Oxo-5-methylhex-3-ene
  • 3-Hexen-2-one, 5-methyl-
  • 5-Methyl-3-hexene-2-one
  • 5-Methylhex-3-en-2-one
  • Ai3-22171
  • Brn 1720101
  • FEMA No. 3409
  • 5-Methyl-3-hexen-2-one
  • 3-01-00-03005 (Beilstein Handbook Reference)
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