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CAS 23696-85-7

:

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

Description:
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, with the CAS number 23696-85-7, is an organic compound characterized by its unique structure that includes a cyclohexadiene moiety and a butenone functional group. This compound is typically a colorless to pale yellow liquid with a distinctive odor, often associated with floral or fruity notes, making it relevant in the fragrance and flavor industries. It is known for its reactivity due to the presence of conjugated double bonds, which can participate in various chemical reactions, including electrophilic additions and polymerizations. The compound's stability can be influenced by environmental factors such as light and temperature, which may lead to isomerization or degradation. Additionally, it exhibits moderate solubility in organic solvents, while its solubility in water is limited. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Overall, this compound is of interest for its potential applications in synthetic organic chemistry and its role in natural product synthesis.
Formula:C13H18O
InChI:InChI=1/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3
InChI key:InChIKey=POIARNZEYGURDG-UHFFFAOYSA-N
SMILES:C(C=CC)(=O)C=1C(C)(C)CC=CC1C
Synonyms:
  • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
  • 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one
  • 1-(2,6,6-Trimethyl-1-Cyclohexa-1,3-Dienyl)But-2-En-1-One
  • 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene
  • 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene
  • 2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadiene
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
  • 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one
  • Damascenone
  • Damascenone (natural)
  • See more synonyms
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