ethyl nonanoate
Notes :
Introduces naturalness to floral fruity fragrances. Topnote effects in rose and citrus.
 
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IUPAC name :ethyl nonanoate
InChI :InChI=1/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey :BYEVBITUADOIGY-UHFFFAOYAC
SMILES :CCCCCCCCC(=O)OCC
(EINECS) number :204-615-7
cas number :123-29-5
beilstein number :1759169
fema number :2447
coe number :388
jecfa number :34
fl. number :09.107
molar refractivity :54.78 ± 0.3 cm3
parachor :494.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :21.71 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 186.2911800
formula :C11 H22 O2
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
fruity rose waxy rum wine natural tropical
taste description³ :at 25.00 ppm.  
Waxy, soapy, cognac, estry fruity and tropical, grape
substantivity :12  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.86300 - 0.86500 @ 25.00 °C.
pounds per gallon - calc. : 7.181 to 7.198
refractive index :1.42100 - 1.42600 @ 20.00 °C.
melting point : -45.00 - -44.00 °C. @ 760.00 mm Hg
boiling point : 119.00 °C. @ 23.00 mm Hg
boiling point : 228.00 - 229.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.43
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >43.00  gm/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 170.00  °F.  TCC  ( 76.67 °C. )
  
recommendation for ethyl nonanoate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for ethyl nonanoate usage levels up to :
  580.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :204-615-7
rtecs :RA6845000 for 123-29-5
chemidplus :000123295
epa-srs :123-29-5
dtp/nci :8901
  
other : 
  C of A
references : 
pubchem :173288
NIST Chemistry WebBook :2014965685
  
reference : Mosciano, Gerard P&F 23, No. 5, 49, (1998)³
synonyms :
 ethyl nonanoate
 ethyl nonylate
 ethyl pelargonate
 nonanoic acid ethyl ester
 wine ether
soluble in :
 alcohol
 propylene glycol
 water, 30 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 algae absolute
 allyl amyl glycolate
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
 anise seed oil
para-anisyl alcohol
 bay leaf oil
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl benzoate
 benzyl isoeugenol
 benzyl salicylate
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl salicylate
 caraway seed oil
 carrot seed oil
 cassia bark oil
 cedarleaf oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 cortex pyridine
 costus root oil
 costus valerolactone
para-cresyl caprylate
 cuminaldehyde
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
 decanal
 decanol
9-decen-1-al
9-decen-1-ol
 decyl acetate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl isobutyrate
 dimethyl hydroquinone
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
 indole
 ionones
 labdanum resinoid
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 marine pyridine
 melon nonenoate
 methyl benzoate
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl ionones
 methyl phenyl acetate
 mimosa absolute
 musks
 nerolidol
 neryl acetate
gamma-nonalactone
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
gamma-octalactone
 octanal
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 rose butanoate
 rose oxides
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 undecanol
10-undecen-1-al
10-undecen-1-yl acetate
 vanillyl acetate
 verymoss
 vetiver oil
 violet leaf absolute
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 apple
 apricot
 banana
 butter
 chamomile
 cherry
 coffee
 cognac
 elderberry
 fir needle
 floral
 freesia
 grape
 honey miel
 hops houblon
 licorice
 melon watermelon muskmelon cantaloupe
 mulberry
 orris iris
 peach
 pear
 pineapple
 plum
 plum greengage plum
 raisin
 rose
 sherry
 strawberry
 tonka
 topnotes
 tropical
 tuberose tubereuse
 tutti frutti
 wine
 woodruff asperula
natural occurrence in :
apple
banana
beer
brandy grape brandy
cognac
elderberry
grape
pineapple
plum
raisin
rum
whiskey
wine red wine
wine white wine



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