geranyl nonanoate
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IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
InChI :InChI=1/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3/b18-15+
InChIKey :WVOMTKJRDMPOCF-OBGWFSINBI
SMILES :CCCCCCCCC(=O)OC\C=C(/C)\CCC=C(C)C
cas number :68039-29-2
(EINECS) number :268-247-9
molar refractivity :91.64 ± 0.3 cm3
parachor :779.5 ± 4.0 cm3
index of refraction :1.463 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.885 ± 0.06 g/cm3
polarizability :36.33 ± 0.5 10-24cm3
XlogP : 5.50
molecular weight : 294.4720600
formula :C19 H34 O2
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
bourbon geranium

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88200 @ 25.00 °C.
boiling point : 378.00 to 379.00 °C. @ 760.00 mm Hg
flash point : 214.00  °F.  TCC  ( 101.11 °C. )
logP (o/w) : 7.82

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for geranyl nonanoate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for geranyl nonanoate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 [(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
(EINECS) number :268-247-9
chemidplus :068039292
EPA Substance Registry Services :68039-29-2

references :
 [(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
pubchem :683697

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
[(2E)-3,7-dimethylocta-2,6-dienyl] nonanoate
(E)-geranyl nonan-1-oate
(E)-geranyl nonanoate
 geranyl pelargonate
(E)-geranyl pelargonate
(E)-neryl nonanoate
(E)-neryl pelargonate
 nonanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
(E)-nonanoic acid 3,7-dimethyl-2,6-octadienyl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl acetoacetate
isoamyl laurate
 amyl octanoate
isoamyl tiglate
isoamyl undecylenate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
 benzophenone
 benzyl alcohol
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl benzyl ether
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
laevo-citronellol
 citronellyl cinnamate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 cyclohexyl propanol
(E)-alpha-damascone
(Z)-alpha-damascone
gamma-damascone
(E,Z)-2,4-decadien-1-al
isodecanal
(Z)-4-decen-1-yl acetate
 diethyl 1-malate
 diethyl malate
 diethyl sebacate
 dihydrocarvyl acetate
 dihydrorose oxide
 dimethyl anthranilate
 diphenyl methane
 diphenyl oxide
 ethyl 3,5,5-trimethyl hexanoate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
2-ethyl-4-butanol
 farnesyl acetate
 farnesyl acetone
 floral pyran
 geranium cyclohexane
 geranium dihydropyran
 geranium nitrile
 geranium oil africa
 geranium oil egypt
 geranium pyran
 geranium thiazole
 geranyl acetate
 geranyl acetoacetate
 geranyl hexanoate
(E)-geranyl linalool
 geranyl tiglate
 globulol
 hawthorn ethanol
2-hexanol
(Z)-3-hexen-1-yl butyrate
 hexyl isobutyrate
 hexyl phenyl acetate
 leather cyclohexanol
 methyl citronellate
 methyl decanoate
 methyl hydrocinnamate
 methyl nonanoate
2-methyl octanal
2-methyl-1-butanol
 musk acetate
 neryl acetate
 neryl isovalerate
 nonanal diethyl acetal
 nonanol
 opoponax oil
2-pentanone
 peony acetonitrile
 phenethyl acetate
 phenethyl anthranilate
 phenethyl phenyl acetate
 phenethyl pivalate
 phenethyl propionate
 phenethyl salicylate
 phenethyl senecioate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 propionaldehyde
 propyl heptanoate
 rhodinyl acetate
 rhodinyl isobutyrate
 rhodinyl isovalerate
 rhodinyl propionate
 rose carbonate
 rose oil
(Z)-rose oxide
laevo-rose oxide
 sorbyl butyrate
 sorbyl propionate
 strawberry glycidate 2
 styralyl propionate
 terpinyl cinnamate
(E)-2-undecen-1-ol
2-undecen-1-ol

(odor and/or flavor) used in :
 floral
 geranium
 rose

natural occurrence in :
not found in nature



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