vitispirane
 
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IUPAC name :2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
InChI :InChI=1/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
InChIKey :DUPDJVDPPBFBPL-UHFFFAOYAG
SMILES :CC1CCC2(O1)C(=C)C=CCC2(C)C
cas number :65416-59-3
fl. number :16.054
molar refractivity :59.33 ± 0.4 cm3
parachor :475.5 ± 6.0 cm3
index of refraction :1.499 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :23.52 ± 0.5 10-24cm3
xlogp : 2.70
molecular weight : 192.2973000
formula :C13 H20 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 258.00 - 259.00 °C. @ 760.00 mm Hg
logp : 3.81

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 224.00  °F.  TCC  ( 106.67 °C. )
  
recommendation for vitispirane usage levels up to :
 not for fragrance use.
  

safety links :
chemidplus :065416593
epa-srs :65416-59-3
  

other :
 

references :
fl. number :16.054
pubchem :3749935
  
synonyms :
6-methylene-2,10,10-trimethyl-1-oxaspiro[4.5]dec-7-ene
2,10,10-trimethyl-6-methylene-1-oxaspiro(4.5)dec-7-ene
 vitispirane
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
grape juice
vitis vinifera
wine
data pagewitch hazel leaf oil @ 0.09%



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