kaurene
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IUPAC name :kaurene
InChI :InChI=1/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h5,10,14-17H,6-9,11-13H2,1-4H3/t14-,15-,16+,17-,19+,20u/m0/s1
InChIKey :IODSADAHQKFXES-CCJFMQDPBZ
SMILES :C[C@H]1CC23CC[C@@H]4C(CC=C[C@]4([C@@H]2CC[C@H]1C3)C)(C)C
cas number :34424-57-2
molar refractivity :86.32 ± 0.4 cm3
parachor :681.5 ± 6.0 cm3
index of refraction :1.530 ± 0.03
surface tension :35.3 ± 5.0 dyne/cm
density :0.97 ± 0.1 g/cm3
polarizability :34.22 ± 0.5 10-24cm3
XlogP : 7.20
molecular weight : 272.4680800
formula :C20 H32
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
properties :
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 343.00 to 345.00 °C. @ 760.00 mm Hg
flash point : 338.00  °F.  TCC  ( 170.00 °C. )
logP (o/w) : 8.38
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
EPI System :view
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
 
 
 
 kaurene
chemidplus :034424572
EPA Substance Registry Services :34424-57-2
references :
 kaurene
NIST Chemistry WebBook :647998460
pubchem :207377
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(+)-kaurene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagemangrove bark red oil cuba @ 1.10%
data pagewitch hazel leaf oil @ 0.02%



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