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471-15-8

471-15-8 Structure

471-15-8 Structure
IdentificationBack Directory
[Name]

THUJONE
[CAS]

471-15-8
[Synonyms]

THUJONE
b-Thujone
β-Thujone
cis-Thujone
beta-Thujon
(E)-Thujone
(Z)-thujone
Thujone cis
D-isothujone
(+)-Isothujon
(+)-3-Thujone
Thujone trans
trans-Thujone
(+)-β-thujone
(+)-isothujone
D-beta-Thujone
THUJONE-A AND B
ALPHA,BETA-THUJONE
ALPHA AND BETA-THUJONE
THUJONE ALPHA AND BETA
3-Thujanone, (1S,4S,5R)-(+)-
(-)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE
1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE (CIS AND TRANS)
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4S,5R)-
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1alpha,4beta,5alpha)]-
[Molecular Formula]

C10H16O
[MDL Number]

MFCD00135597
[MOL File]

471-15-8.mol
[Molecular Weight]

152.23
Chemical PropertiesBack Directory
[Melting point ]

170 °C
[alpha ]

D15 +72.5°
[Boiling point ]

84-86 °C17 mm Hg(lit.)
[density ]

0.925 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.455(lit.)
[Fp ]

148 °F
[storage temp. ]

2-8°C
[solubility ]

Practically insoluble in water, soluble in alcohol and oils.
[form ]

Almost colourless mobile liquid
[Odor]

herbal warm
[Dielectric constant]

10.0(0℃)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

23/24/25-36/37/38-42/43
[Safety Statements ]

23-26-36/37/39-45
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[Toxicity]

LD50 s.c. in mice: 442.2 mg/kg (Rice, Wilson)
Hazard InformationBack Directory
[Chemical Properties]

Powerful and penetrating, warm-herbaceous, the minty-camphoraceous odour of moderate to poor tenacity. Warm-herbaceous, bitter taste in concentrations lower than 10 ppm. Higher concentrations produce a pungent-bitter, herbaceous taste.
[Uses]

β-Thujone is a component of the essential oil of Pistacia vera L. It is also used as as a reactant in organic synthesis.
[Definition]

ChEBI: (+)-beta-thujone is a beta-thujone. It is an enantiomer of a (-)-beta-thujone.
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