phytol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
InChI :InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKey :BOTWFXYSPFMFNR-PYDDKJGSBV
SMILES :CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(=C/CO)/C
(EINECS) number :205-776-6
cas number :150-86-7
beilstein number :1726098
fema number :4196
coe number :10302
jecfa number :1832
fl. number :02.204
molar refractivity :96.01 ± 0.3 cm3
parachor :820.1 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.845 ± 0.06 g/cm3
polarizability :38.06 ± 0.5 10-24cm3
xlogp : 7.10
molecular weight : 296.5310000
formula :C20 H40 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 
organoleptics :
odor type :floral
odor strength :low
odor description :
at 100.00 %.  		delicate floral balsam
properties :
appearence :colorless clear liquid
assay : 90.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.85000 @ 25.00 °C.
refractive index :1.46300 @ 20.00 °C.
boiling point : 202.00 - 204.00 °C. @ 10.00 mm Hg
boiling point : 333.00 - 335.00 °C. @ 760.00 mm Hg
logp : 8.32
safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for phytol usage levels up to :
  10.0000 % 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).
4196 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : 5.0000025.00000
granulated sugar : --
gravies : 20.00000100.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : 5.0000025.00000
meat products : 2.0000010.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
safety links :
(EINECS) number :205-776-6
rtecs :TJ3490000 for 150-86-7
chemidplus :000150867
epa-srs :150-86-7
  
other :
 
references :
jecfa number :1832
fl. number :02.204
pubchem :152198
  
synonyms :
 phytol
(E)-phytol
trans-phytol
3,7,11,15-tetramethyl hexadec-2-en-1-ol
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
(R-(R*,R*-(E)))-3,7,11,15-tetramethyl-2-hexadecen-1-ol
(theta-(theta,theta-(E)))-3,7,11,15-tetramethyl-2-hexadecen-1-ol
(odor and/or flavor) blends with :
 amyl isoeugenol
 benzyl cinnamate
alpha-butyl cinnamaldehyde
 cinnamyl cinnamate
 dihydroisojasmonate
 dimethyl benzyl carbinyl acetate
 eucalyptus citriodora oil
(Z)-3-hexen-1-yl cinnamate
alpha-hexyl cinnamaldehyde
alpha-methyl cinnamic alcohol
 methyl dihydrojasmonate
 phenethyl salicylate
 privet dioxane
 styrene
 valerian absolute
 waxy lactone
(odor and/or flavor) used in :
 balsam
 floral
 herbal
 magnolia
 orchid
natural occurrence in :
data pageherniaria incana lam. oil greece @ 2.60%
data pagewitch hazel leaf oil @ 9.79%



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Html Last modified 11/13/2008