thujyl alcohol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(1R,3R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
InChI :InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7u,8-,9-,10-/m1/s1
InChIKey :DZVXRFMREAADPP-NPTNVHDABH
SMILES :CC1[C@H]2C[C@@]2(C[C@H]1O)C(C)C
(EINECS) number :244-504-0
cas number :21653-20-3
fema number :4079
jecfa number :1865
fl. number :02.207
molar refractivity :45.78 ± 0.3 cm3
parachor :376.6 ± 6.0 cm3
index of refraction :1.517 ± 0.02
surface tension :38.3 ± 3.0 dyne/cm
density :1.019 ± 0.06 g/cm3
polarizability :18.15 ± 0.5 10-24cm3
xlogp : 2.80
molecular weight : 154.2493200
formula :C10 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor description :
carvomenthol

properties :
appearence :colorless crystals
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91900 - 0.92500 @ 25.00 °C.
pounds per gallon - calc. : 7.647 to 7.697
refractive index :1.46000 - 1.46600 @ 20.00 °C.
melting point : 28.00 - 29.00 °C. @ 760.00 mm Hg
boiling point : 99.00 - 100.00 °C. @ 12.00 mm Hg
logp : 2.48

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 182.00  °F.  TCC  ( 83.33 °C. )
  
recommendation for thujyl alcohol usage levels up to :
  0.8000 % in the fragrance concentrate.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 22.
4079 average usual ppmaverage maximum ppm
baked goods : 5.0000025.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 2.0000010.00000
cheese : 3.0000015.00000
chewing gum : --
condiments / relishes : 2.0000010.00000
confectionery froastings : 4.0000020.00000
egg products : --
fats / oils : 2.0000010.00000
fish products : 1.000005.00000
frozen dairy : 3.0000015.00000
fruit ices : 3.0000015.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 5.0000025.00000
imitation dairy : 3.0000015.00000
instant coffee / tea : --
jams / jellies : --
meat products : 1.000005.00000
milk products : 3.0000015.00000
nut products : --
other grains : --
poultry : 1.000005.00000
processed fruits : 2.0000010.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 2.0000010.00000
snack foods : --
soft candy : 5.0000025.00000
soups : 2.0000010.00000
sugar substitutes : --
sweet sauces : 2.0000010.00000

safety links :
(EINECS) number :244-504-0
chemidplus :021653203
epa-srs :21653-20-3
  

other :
 

references :
jecfa number :1865
fl. number :02.207
pubchem :021653203
  
synonyms :
(1S-(1alpha,3alpha,4alpha,5alpha))-4-methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-ol
(1S,3S,4R,5R)-4-methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-ol
 tanacetyl alcohol
(-)-3-neoisothujanol
3-thujanol
(-)-thujol
3-thujol
 thujyl alcohol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 cedarleaf
 wormwood absinthium
natural occurrence in :
data pageartemisia vestita wall. flower oil @ 3.20%
data pageartemisia vestita wall. leaf oil @ 2.00%



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Html Last modified 11/13/2008