geranyl octanoate
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Notes :
Enhancer in floral blends.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
InChI :InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
InChIKey :YYBMOGCOPQVSLQ-SAPNQHFABW
SMILES :CCCCCCCC(=O)OC\C=C(/C)\CCC=C(C)C
cas number :51532-26-4
(EINECS) number :257-256-3
fl. number :09.384
molar refractivity :87.01 ± 0.3 cm3
parachor :739.7 ± 4.0 cm3
index of refraction :1.462 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.887 ± 0.06 g/cm3
polarizability :34.49 ± 0.5 10-24cm3
XlogP : 5.10
molecular weight : 280.4454800
formula :C18 H32 O2
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Fleurchem :geranyl caprylate
natural
Penta :geranyl octanoate

organoleptics :
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
herbal rose fruity

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88200 to 0.89200 @ 25.00 °C.
pounds per gallon - calc. : 7.339 to 7.422
refractive index :1.45800 to 1.46800 @ 20.00 °C.
boiling point : 305.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 7.29

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for geranyl octanoate usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
(EINECS) number :257-256-3
chemidplus :051532264
EPA Substance Registry Services :51532-26-4

references :
 [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
fl. number :09.384
NIST Chemistry WebBook :51532264
pubchem :681334

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E)-3,7-dimethyl-2,6-octadien-1-yl octanoate
[(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
 geranyl caprylate
(E)-geranyl caprylate
(E)-geranyl octanoate
(E)-neryl caprylate
(E)-neryl octanoate
 octanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
(E)-octanoic acid 3,7-dimethyl-2,6-octadienyl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl isononylate
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl isobutyrate
 benzyl methyl tiglate
 butyl angelate
isobutyl decanoate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis buteneone
 cassis methanol
 chamomile oil
 chamomile propionate
 chamomile valerate
 citronellal diisotridecyl acetal
 citronellyl acetate
 citronellyl anthranilate
 citronellyl hexanoate
 citronellyl isovalerate
(E)-citronellyl tiglate
 citronellyl valerate
 citrus propanol
 cuminyl acetate
beta-damascenone
delta-damascone
 decyl propionate
 dibutyl sulfide
 diethyl malate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl octanyl acetate
2,10-epoxypinane
 ethyl 4-pentenoate
 ethyl butyrate
 ethyl formate
 ethyl heptanoate
 ethyl linalyl acetate
 ethyl nonanoate
 ethyl ortho-anisate
(E)-ethyl tiglate
 ethyl undecanoate
2-ethyl-4-butanol
 geranic oxide
 geraniol
 geranium cyclohexane
 geranium oil moroccan
 geranyl butyrate
 geranyl isobutyrate
 geranyl methyl tiglate
 geranyl propionate
 geranyl tiglate
 geranyl valerate
 gingergrass oil
4-heptanone
 hexanal diethyl acetal
(E)-2-hexen-1-yl valerate
(E)-2-hexenoic acid
 hexyl phenyl acetate
 hexyl tiglate
 jasmin absolute
 linalyl formate
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
4-methyl-2-penten-1-al
 myrtenyl acetate
 neryl formate
 nonan-3-yl acetate
3-nonanone
 nonyl heptanoate
3-octanon-1-ol
 octyl formate
 orris capronate
beta-sesquiphellandrene
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenethyl valerate
 rhodinyl butyrate
 rose undecene
 rue oil
 spathulenol
 tagete oil
 tricyclodecenyl propionate
 viridiflorol

(odor and/or flavor) used in :
 enhancer
 fruit tropical fruit
 geranium
 herbal
 rose

natural occurrence in :
data pagegeranium stem oil india @ 0.54%



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