α,β-Thujone - CAS 76231-76-0

Catalog: BB035533
Product Name: α,β-Thujone
CAS: 76231-76-0
Synonyms: (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
α,β-Thujone
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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