(-)-isolongifolene
 
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InChI :InChI=1/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3
InChIKey :CQUAYTJDLQBXCQ-UHFFFAOYAT
SMILES :CC1(CCC=C2C13CCC(C3)C2(C)C)C
(EINECS) number :214-494-2
cas number :1135-66-6
beilstein number :2207559
fl. number :01.044
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 : 4.50
molecular weight : 204.3510600
formula :C15 H24
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :medium
odor description :
at 100.00 %.  
woody
properties : 
appearence :colorless to pale yellow clear liquid
assay : 93.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93000 @ 20.00 °C.
refractive index :1.49900 @ 20.00 °C.
boiling point : 255.00 - 257.00 °C. @ 760.00 mm Hg
logp : 6.36
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 216.00  °F.  TCC  ( 102.22 °C. )
  
recommendation for (-)-isolongifolene usage levels up to :
  4.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :214-494-2
chemidplus :001135666
epa-srs :1135-66-6
  
other : 
 
references : 
pubchem :680042
NIST Chemistry WebBook :17938143
  
synonyms :
(2S,4aR)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
 hexahydrotetramethyl methanonaphthalene
(-)-isolongifolene
isolongifolene
2,2,7,7-tetramethyl tricyclo(6.2.1(1,8).0(1,6))undec-5-ene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagejuniper branch oil @ 0.50%



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