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CAS 3002-23-1

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6-Methyl-2,4-heptanedione

Description:
6-Methyl-2,4-heptanedione, with the CAS number 3002-23-1, is an organic compound belonging to the class of diketones. It features two carbonyl (C=O) functional groups located at the 2 and 4 positions of a heptane chain, with a methyl group at the 6 position. This structure contributes to its unique chemical properties, including its ability to participate in various chemical reactions such as condensation and oxidation. The compound is typically a colorless to pale yellow liquid with a characteristic odor, making it useful in flavoring and fragrance applications. It is moderately soluble in water and more soluble in organic solvents, which is common for diketones. Additionally, 6-Methyl-2,4-heptanedione can exhibit reactivity due to the presence of the carbonyl groups, allowing it to form enolates and participate in nucleophilic addition reactions. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes and should be used in well-ventilated areas.
Formula:C8H14O2
InChI:InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChI key:InChIKey=IGMOYJSFRIASIE-UHFFFAOYSA-N
SMILES:C(C(CC(C)=O)=O)C(C)C
Synonyms:
  • (3Z)-4-hydroxy-6-methylhept-3-en-2-one
  • 2,4-Heptanedione, 6-Methyl-
  • 2-Methyl-4,6-heptanedione
  • 6-Methyl-2,4-heptanedione
  • Isopropylacetylacetone
  • Isovalerylacetone
  • NSC 42238
  • NSC 42240
  • NSC 46469
  • NSC 94
  • 6-Methylheptane-2,4-dione
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