alpha-bisabolene
 
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IUPAC name :1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
InChI :InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3
InChIKey :YHBUQBJHSRGZNF-UHFFFAOYAY
SMILES :CC1=CCC(CC1)C(=CCC=C(C)C)C
(EINECS) number :241-610-9
cas number :17627-44-0
fema number :3331
fl. number :01.027
molar refractivity :68.75 ± 0.3 cm3
parachor :550.9 ± 6.0 cm3
index of refraction :1.490 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.859 ± 0.06 g/cm3
polarizability :27.25 ± 0.5 10-24cm3
xlogp : 4.00
molecular weight : 204.3510600
formula :C15 H24
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :medium
odor description :
at 100.00 %.  
balsamic spicy
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 276.00 - 277.00 °C. @ 760.00 mm Hg
logp : 6.60
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for alpha-bisabolene usage levels up to :
  6.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :241-610-9
chemidplus :017627440
epa-srs :17627-44-0
  
other : 
 
references : 
pubchem :663451
  
synonyms :
 bisabola-1,8,12-triene
1,8,12-bisabolatriene
alpha-bisabolene
4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl cyclohexene
 methyl methyl cyclohexenyl heptadiene
6-methyl-2-(4-methyl cyclohex-3-enyl) hept-2,5-diene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 bergamot
 lemon
 myrrh
 neroli
natural occurrence in :
data pagebasil absolute sweet @ 0.32%
data pagebasil oil sweet egypt @ 1.29%
data pagecarrot seed oil @ 3.00%
data pagecelery seed oil egypt @ 0.12%
data pageguava fruit oil reunion @ 0.60%
data pagelaurel leaf oil turkey @ 0.20%
data pagethyme oil red CO2 extract spain @ 0.8%
data pagethyme oil wild or creeping france @ 0.05%



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