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CAS 14901-07-6

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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

Description:
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one, with the CAS number 14901-07-6, is an organic compound characterized by its unique structure that includes a cyclohexene ring and a butenone moiety. This compound features a conjugated system, which contributes to its potential reactivity and stability. It is typically a colorless to pale yellow liquid with a distinctive odor, often associated with floral or fruity notes, making it of interest in the fragrance and flavor industry. The presence of multiple alkyl groups, particularly the trimethyl substituents, influences its physical properties, such as boiling point and solubility. Additionally, the compound may exhibit interesting biological activities, which could be explored for applications in pharmaceuticals or agrochemicals. Its synthesis often involves multi-step organic reactions, highlighting its complexity and the importance of careful handling due to potential reactivity. Overall, this compound represents a fascinating example of organic chemistry with applications in various fields.
Formula:C13H20O
InChI:InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChI key:InChIKey=PSQYTAPXSHCGMF-UHFFFAOYSA-N
SMILES:C(=CC(C)=O)C=1C(C)(C)CCCC1C
Synonyms:
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
  • NSC 402758
  • NSC 46137
  • β-Ionone
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