phytyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
InChI :InChI=1/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1
InChIKey :JIGCTXHIECXYRJ-ILWBRPEABR
SMILES :CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(=C/COC(=O)C)/C
(EINECS) number :233-565-9
cas number :10236-16-5
fema number :4197
jecfa number :1833
fl. number :09.691
molar refractivity :105.52 ± 0.3 cm3
parachor :907.6 ± 4.0 cm3
index of refraction :1.453 ± 0.02
surface tension :29.4 ± 3.0 dyne/cm
density :0.868 ± 0.06 g/cm3
polarizability :41.83 ± 0.5 10-24cm3
xlogp : 7.80
molecular weight : 338.5676800
formula :C22 H42 O2
 
 
export tariff code :2915.39.9050
fda reg :unspecified
 
 
organoleptics :
odor strength :low
odor description :
at 100.00 %.  		mild waxy fruity balsam
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86700 - 0.87200 @ 25.00 °C.
pounds per gallon - calc. : 7.214 to 7.256
refractive index :1.45400 - 1.45800 @ 20.00 °C.
boiling point : 405.00 - 406.00 °C. @ 760.00 mm Hg
boiling point : 129.00 - 131.00 °C. @ 0.01 mm Hg
acid value : 1.00  max.  KOH/g
logp : 9.49
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for phytyl acetate usage levels up to :
  12.0000 % 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).
publication number : 22.
4197 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 :233-565-9
chemidplus :010236165
epa-srs :10236-16-5
  
other :
 
references :
jecfa number :1833
fl. number :09.691
pubchem :689351
  
synonyms :
 phytol acetate
 phytyl acetate
 tetramethyl hexadec-2-enyl acetate
(R-(R*,R*-(E)))-3,7,11,15-tetramethyl hexadec-2-enyl acetate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
isoamyl isobutyrate
 citronellyl nitrile
 citronellyl oxyacetaldehyde
 cyclohexyl ethyl alcohol
3-decanone
9-decen-1-al
(Z)-4-decen-1-ol
 decyl butyrate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl decanoate
 ethyl laurate
 ethyl palmitate
 ethyl undecylenate
1-furfuryl pyrrole
(E)-geranyl acetone
 geranyl hexanoate
 heptyl formate
 hexadecanol
3-hexanone
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl propionate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl phenyl acetate
 jasmin absolute
 lily absolute
 mandarine undecenal
 methyl 2-undecynoate
 methyl 2,4-decadienoate
 methyl butyl phenyl acetate
 methyl citronellate
 methyl heptanoate
 methyl undecanoate
(Z)-nerolidol
3-nonanon-1-yl acetate
(E)-2-nonen-1-yl acetate
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octyl 2-methyl butyrate
 phenethyl hexanoate
(E)-2-tridecen-1-yl acetate
2-undecanone
(Z)-8-undecen-1-al
10-undecen-1-ol
 waxy aldehyde
(odor and/or flavor) used in :
 ambreine
 amyris
 ash mountain ash
 azalea
 baby powder
 balsam
 beeswax cire d'abeille
 benzoin
 cardamom
 cistus
 copaiba
 coronilla
 davana
 elder blossom
 elemi
 evergreen
 fir
 fir balsam
 fir needle
 galbanum
 habuba
 hugonia
 incense
 jasmin
 juniperberry
 labdanum
 liverwort
 mastic
 mimosa wattle
 myrrh
 opoponax
 osmanthus
 patchouli
 peru balsam
 pine
 pine dwarf pine
 pine needle
 pine scotch pine
 pinon cone
 styrax
 tolu balsam
 valerian
 vetiver
 waxy
natural occurrence in :
data pagejasmin absolute concrete egypt @ 3.65%
data pagejasmin absolute concrete egypt @ 7.36%
data pagejasmin absolute concrete italy @ 7.98%



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