IUPAC Name: | (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
Description: | α,β-Thujone (CAS# 76231-76-0) is a component of the essential oil of Pistacia vera L. It is also used as as a reactant in organic synthesis. |
Molecular Weight: | 152.23 |
Molecular Formula: | C10H16O |
Canonical SMILES: | CC1C2CC2(CC1=O)C(C)C |
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: | USMNOWBWPHYOEA-VWHDNNRLSA-N |
Boiling Point: | 203 °C |
Density: | 0.925 g/cm3 |
Solubility: | In water, 407 mg/L at 25 °C (est) |
Appearance: | Colorless or almost colorless liquid |
Decomposition: | Hazardous decomposition products formed under fire conditions. - carbon oxides. /alpha-thujone/ |
LogP: | 2.25760 |
Stability: | Stable under recommended storage conditions. /alpha-thujone/ |
Vapor Pressure: | 0.449 mm Hg at 25 °C (est) |
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Related Functional Groups
Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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