Structure via PubChem · Public domain (PubChem)
thujone
Sign in to saveAlso known as 3-thujanone, 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
Thujone () is a ketone and a monoterpene that occurs predominantly in two diastereomeric (epimeric) forms: (−)-α-thujone and (+)-β-thujone.
Chemical data
- Formula
- C10H16O
- Molecular weight
- 152.23 g/mol
- IUPAC name
- 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
- SMILES
- CC1C2CC2(CC1=O)C(C)C
- InChIKey
- USMNOWBWPHYOEA-UHFFFAOYSA-N
- XLogP
- 2.3
- Polar surface area
- 17.1 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 152.12
Show 3 more facts
- chemical formula
- C₁₀H₁₆O
- canonical SMILES
- CC1C2CC2(CC1=O)C(C)C
- Commons category
- Thujone
Sources (2)
via Wikidata · CC0
~10 min read
Article
13 sectionsContents
- Sources
- Biosynthesis
- Pharmacology
- In absinthe
- History
- Regulations
- European Union
- United States
- Canada
- See also
- References
- Further reading
- External links
Thujone () is a ketone and a monoterpene that occurs predominantly in two diastereomeric (epimeric) forms: (−)-α-thujone and (+)-β-thujone.
Though it is best known as a chemical compound in the spirit absinthe, it is only present in trace amounts and is unlikely to be responsible for the spirit's purported stimulant and psychoactive effects.
Gallery (9)
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Categories
5-HT3 antagonistsAbsintheBicyclic compoundsChembox having GHS dataChembox image size setChemical articles with multiple CAS registry numbersChemical articles with multiple compound IDsChemical articles with multiple PubChem CIDsConvulsantsCyclic ketonesCyclopentanesCyclopropanesECHA InfoCard ID from WikidataGABAA receptor negative allosteric modulatorsIsopropyl compoundsMonoterpenesMultiple chemicals in an infobox that need indexingNeurotoxinsPerfume ingredientsPlant toxins