phytol
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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
cas number :150-86-7
(EINECS) number :205-776-6
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
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :PHYTOL
TCI AMERICA :Phytol
>90.0%(GC)
organoleptics :
odor type :floral
odor strength :low
odor description :¹
at 100.00 %.  		delicate floral balsam powdery waxy
odor sample from :Fritzsche Dodge & Olcott, Inc.
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.84700 to 0.85800 @ 25.00 °C.
pounds per gallon - calc. : 7.048 to 7.139
refractive index :1.46000 to 1.46600 @ 20.00 °C.
boiling point : 202.00 to 204.00 °C. @ 10.00 mm Hg
boiling point : 333.00 to 335.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 8.32
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 811, 1982.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 811, 1982.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.32 (μg/capita/day)
 
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
 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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
(EINECS) number :205-776-6
RTECS :TJ3490000 for 150-86-7
chemidplus :000150867
EPA Substance Registry Services :150-86-7
references :
 (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
fl. number :02.204
jecfa number :1832
NIST Chemistry WebBook :150867
pubchem :152198
Cosmetics :
Cosmetic uses : emollients
masking agents
perfuming agents
other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
(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
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-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
 emollients
 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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