thujopsene
 
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InChI :InChI=1/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-QEJZJMRPBP
SMILES :CC1=CC[C@@]2(CCCC([C@]23[C@H]1C3)(C)C)C
(EINECS) number :207-426-8
cas number :470-40-6
molar refractivity :65.05 ± 0.4 cm3
parachor :513.0 ± 6.0 cm3
index of refraction :1.517 ± 0.03
surface tension :32.5 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :25.78 ± 0.5 10-24cm3
xlogp : 5.00
molecular weight : 204.3510600
formula :C15 H24
BioActivity Analysis :98761
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
appearence :pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 256.00 - 257.00 °C. @ 760.00 mm Hg
logp : 6.12

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 222.00  °F.  TCC  ( 105.56 °C. )
  
recommendation for thujopsene usage levels up to :
  5.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :207-426-8
chemidplus :000470406
epa-srs :470-40-6
dtp/nci :44707
  
EPI System :Click here

other :
 

references :
pubchem :675063
NIST Chemistry WebBook :375915532
  
synonyms :
sesquichamene
(1aS-(1aalpha,4abeta,8ar*))- 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl cyclopropa(d)naphthalene
(1aS,4aS,8aS)-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl cyclopropa(d)naphthalene
(1S,6S,10S)-2,2,6,9-tetramethyl tricyclo(8.1.0.01.6)undec-8-ene
 thujopsene
(-)-thujopsene
 widdrene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pageangelica seed oil CO2 extract @ 0.60%
data pagecajuput oil vietnam @ trace%
data pagecascarilla bark oil @ 0.23%
cedarwood oil
data pagecedarwood oil atlanta @ 31.70%
data pagecedarwood oil china @ 29.90%
data pagecedarwood oil texas @ 25.00%
data pagecedarwood oil virginia @ 21.30%
data pagefeatherfew leaf oil @ 0.10%
hibawood oil
data pagejuniper branch oil @ 25.30%
data pageverbena oil france @ 0.20%



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