hexyl nonanoate
 
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IUPAC name :hexyl nonanoate
InChI :InChI=1/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3
InChIKey :GPHBCFMWKGZPRP-UHFFFAOYAJ
(EINECS) number :229-488-5
cas number :6561-39-3
fema number :4339
molar refractivity :73.31 ± 0.3 cm3
parachor :653.6 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.866 ± 0.06 g/cm3
polarizability :29.06 ± 0.5 10-24cm3
xlogp : 6.40
molecular weight : 242.3975000
formula :C15 H30 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
brandy
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88700 @ 15.50 °C.
boiling point : 265.00 °C. @ 760.00 mm Hg
logp : 6.55
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 266.00  °F.  TCC  ( 130.00 °C. )
  
recommendation for hexyl nonanoate usage levels up to :
  8.0000 % 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 : 23.
4339 average usual ppmaverage maximum ppm
baked goods : 0.4000010.00000
beverages(nonalcoholic) : 10.00000100.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : 10.00000200.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : 0.4000010.00000
fish products : --
frozen dairy : 0.200002.00000
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 0.4000010.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :229-488-5
chemidplus :006561393
epa-srs :6561-39-3
  
other : 
 
references : 
pubchem :657998
  
synonyms :
 hexyl nonan-1-oate
 hexyl nonanoate
 hexyl pelargonate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 brandy
natural occurrence in :
not found in nature



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