| Identification | Back Directory | [Name]
(-)-THUJOPSEN | [CAS]
470-40-6 | [Synonyms]
Widdrene
Nsc 44707
Sesquichamene
(-)-THUJOPSEN
(-)-THUJOPSENE
(Z)-Thujopsene
cis-thujopsene
THUJOPSEN, (-)-
Einecs 207-426-8
cis-(-)-Thujopsene
THUJOPSEN, (-)-(SG)
THUJOPSEN, (-)-(SG)(CALL)
cyclopropa[d]naphthalene,
4abeta,8atheta)]-as-(1aalph
(-)-Thujopsene >=97.0% (GC)
(1S,6S,10S)-2,2,6,9-TETRAMETHYL-TRICYCLO[8.1.0.0(1.6)]UNDEC-8-ENE
(1S,6S,10S)-2,2,6,9-Tetramethyl-1,10-methanobicyclo[4.4.0]deca-8-ene
2,4a,8,8-Tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-cyclopropa[d]naphthalen[1
(1aS,8aS)-1,1aα,4,4a,5,6,7,8-Octahydro-2,4aβ,8,8-tetramethylcyclopropa[d]naphthalene
[1aS,4aS,8aS,(-)]-1,1a,4,4a,5,6,7,8-Octahydro-2,4aβ,8,8-tetramethylcyclopropa[d]naphthalene
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)-
[1aS-(1aalpha,4abeta,8aR*)]-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, [1aS-(1aalpha,4abeta,8aR*)]- | [EINECS(EC#)]
207-426-8 | [Molecular Formula]
C15H24 | [MDL Number]
MFCD00042960 | [MOL File]
470-40-6.mol | [Molecular Weight]
204.35 |
| Chemical Properties | Back Directory | [Melting point ]
<25 °C | [alpha ]
D -110° (c = 2 in chloroform) | [Boiling point ]
258-260 °C(lit.)
| [density ]
0.936 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.505
| [Fp ]
104°C | [storage temp. ]
Amber Vial, Refrigerator, Under inert atmosphere | [solubility ]
Chloroform (Sparingly), Dichloromethane (Slightly) | [form ]
Oil | [color ]
Colourless | [BRN ]
1907465 | [InChI]
1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1 | [InChIKey]
WXQGPFZDVCRBME-QEJZJMRPSA-N | [SMILES]
CC1=CC[C@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13 | [LogP]
6.053 (est) | [EPA Substance Registry System]
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)- (470-40-6) |
| Hazard Information | Back Directory | [Definition]
ChEBI: A thujopsene that has (S,S,S)-configuration. | [Uses]
(-)-Thujopsene is an essential oil. | [IC 50]
CYP2B6: 1.3 μM (IC50); CYP3A4: 12.6 μM (IC50); CYP2C19: 13.6 μM (IC50); CYP2C8: 29.8 μM (IC50); CYP2C9: 44.9 μM (IC50) |
| Safety Data | Back Directory | [Safety Statements ]
23-24/25 | [RIDADR ]
1993 | [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HazardClass ]
3.2 | [PackingGroup ]
III | [Storage Class]
10 - Combustible liquids |
|
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Sigma-Aldrich
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