beta-bisabolol
 
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IUPAC name :4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
InChI :InChI=1/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3
InChIKey :WTVHAMTYZJGJLJ-UHFFFAOYAG
SMILES :CC1=CCC(CC1)(C(C)CCC=C(C)C)O
cas number :15352-77-9
molar refractivity :70.40 ± 0.3 cm3
parachor :580.3 ± 6.0 cm3
index of refraction :1.495 ± 0.02
surface tension :33.5 ± 3.0 dyne/cm
density :0.921 ± 0.06 g/cm3
polarizability :27.91 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 222.3663400
formula :C15 H26 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :medium
odor description :
at 100.00 %.  
lemon citrus floral tangy fresh sweet herbal
properties : 
appearence :colorless clear viscous liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92110 @ 25.00 °C.
refractive index :1.49630 @ 20.00 °C.
boiling point : 305.00 - 307.00 °C. @ 760.00 mm Hg
logp : 5.19
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 267.00  °F.  TCC  ( 130.56 °C. )
  
recommendation for beta-bisabolol usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for beta-bisabolol usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
chemidplus :015352779
epa-srs :15352-77-9
  
other : 
 
references : 
pubchem :169832
NIST Chemistry WebBook :1958385547
  
synonyms :
beta-bisabolol
(1S)-1-((1S)-1,5-dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
(S-(R*,R*))-1-(1,5-dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 fixer
 ginger
 grapefruit
 lemon
 lime
 orange
natural occurrence in :
data pageayou wood oil @ 8.30%
data pagebombycilaena erecta oil greece @ 0.30%
data pagecascarilla bark oil @ trace%
data pagecedrela wood oil @ 0.53%
cotton buds
data pagecurcuma amada roxb. rhizome oil india @ 0.50%
data pageguava leaf oil cuba @ 3.20%
data pagelavandin oil abrialis @ 0.24%
data pagelavandin oil grosso @ 0.40%
data pagelavender oil spike france @ 0.02%
lemon
data pagelemongrass oil @ 0.37%
data pagepepper oil black india @ 0.20%
data pagephlomis fruticosa l. flower oil greece @ 3.50%
data pagephoebe oil brazil @ 2.50%
data pagesandalwood oil east indian @ 0.64%



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