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CAS 57696-89-6

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3,5,5-Trimethyl-1,2-cyclohexanedione

Description:
3,5,5-Trimethyl-1,2-cyclohexanedione, with the CAS number 57696-89-6, is an organic compound characterized by its bicyclic structure featuring two ketone functional groups. This compound is a derivative of cyclohexane, specifically modified with three methyl groups at the 3 and 5 positions, which contributes to its unique chemical properties. It typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. The presence of the diketone functionality allows for various chemical reactivity, including potential participation in condensation reactions and complexation with metal ions. Its molecular structure imparts steric hindrance, influencing its reactivity and solubility in organic solvents. 3,5,5-Trimethyl-1,2-cyclohexanedione is often utilized in organic synthesis and may serve as an intermediate in the production of other chemical compounds. Additionally, it may exhibit interesting biological activities, although specific applications and effects would depend on further research and context. Proper handling and safety measures should be observed due to its chemical nature.
Formula:C9H14O2
InChI:InChI=1/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3/t6-/m0/s1
InChI key:InChIKey=WEUZZYGESXCTCU-UHFFFAOYSA-N
SMILES:CC1(C)CC(C)C(=O)C(=O)C1
Synonyms:
  • (3R)-3,5,5-trimethylcyclohexane-1,2-dione
  • (3S)-3,5,5-trimethylcyclohexane-1,2-dione
  • 1,2-Cyclohexanedione, 3,5,5-trimethyl-
  • 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-
  • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone
  • 2-Hydroxyisophorone
  • 3,5,5-Trimethyl-1,2-cyclohexanedione
  • 3,5,5-Trimethylcyclohexane-1,2-Dione
  • FEMA No. 3459
  • Tobacco Ketone
  • See more synonyms
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