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CAS 546-80-5

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Thujone

Description:
Thujone is a monoterpene compound primarily found in various plants, notably in wormwood (Artemisia absinthium), which is famous for its use in absinthe. It has the chemical formula C10H14O and is characterized by its cyclic structure, featuring a bicyclic arrangement. Thujone exists in two stereoisomeric forms: α-thujone and β-thujone, each exhibiting distinct biological activities. The compound is known for its strong, minty aroma and is often associated with psychoactive properties, although its effects can vary significantly based on concentration and dosage. Thujone has been studied for its potential neurotoxic effects, and its consumption is regulated in many countries due to safety concerns. In addition to its historical use in alcoholic beverages, thujone is also utilized in perfumery and as a flavoring agent. Its solubility in organic solvents and limited solubility in water are notable physical properties, making it a compound of interest in both natural product chemistry and pharmacology.
Formula:C10H16O
InChI:InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
InChI key:InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N
SMILES:C(C)(C)[C@]12[C@](C1)([C@@H](C)C(=O)C2)[H]
Synonyms:
  • ()-alpha-Thujone
  • (-)-Thujone
  • (-)-α-Thujone
  • (1S,4R,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
  • (1S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
  • 1-Isopropil-4-Metilbiciclo[3.1.0]Hexan-3-Ona
  • 1-Isopropyl-4-Methylbicyclo(3.1.0)Hexan-3-One
  • 1-Isopropyl-4-Methylbicyclo[3.1.0]Hexane-3-One
  • 1-Isopropyl-4-Methylbicylco [3.1.0] Hexan-3-One
  • 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-on
  • See more synonyms
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