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
SMILES :O=C(CCCCCCCC)OCCCCCC
cas number :6561-39-3
(EINECS) number :229-488-5
fema number :4339
jecfa number :1873
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 (IUPAC)
formula :C15 H30 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Inoue :HEXYL NONANOATE
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		brandy green vegetable fruity
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85800 to 0.86300 @ 20.00 °C.
pounds per gallon - calc. : 7.148 to 7.189
refractive index :1.43100 to 1.43600 @ 20.00 °C.
boiling point : 291.00 to 292.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 266.00  °F.  TCC  ( 130.00 °C. )
logP (o/w) : 6.55
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for hexyl nonanoate fragrance 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).
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.
publication number : 23
 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 references :
EPI System :view
 
 
 
 
hexyl nonanoate
(EINECS) number :229-488-5
chemidplus :006561393
EPA Substance Registry Services :6561-39-3
references :
 
hexyl nonanoate
jecfa number :1873
NIST Chemistry WebBook :06561393
pubchem :657998
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 hexyl nonan-1-oate
 hexyl pelargonate
Similar Products:    note
 allyl nonanoate
 amyl nonanoate
isoamyl nonanoate
 benzyl nonanoate
 butyl nonanoate
isobutyl nonanoate
 ethyl nonanoate
 geranyl nonanoate
 heptyl nonanoate
 methyl nonanoate
 nonyl nonanoate
 octyl nonanoate
 phenethyl nonanoate
 propyl nonanoate
isopropyl nonanoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 butyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
 chamomile oilFL/FR
 decyl propionateFL/FR
 ethyl butyrateFL/FR
 ethyl decanoateFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl octanoateFL/FR
 ethyl undecanoateFL/FR
2-ethyl-4-butanolFL/FR
 fig crotonateFR
4-heptanoneFL/FR
 hexanal diethyl acetalFL/FR
(E)-2-hexen-1-yl valerateFL
 methyl citronellateFL/FR
4-methyl-2-penten-1-alFL
 orange oil bitterFL/FR
potential uses :
 brandy
natural occurrence in :    note
 not found in nature  

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