(E,Z)-2,6-nonadien-1-yl acetate
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IUPAC name :[(2E,6Z)-nona-2,6-dienyl] acetate
InChI :InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4-,9-8+
InChIKey :UHONGPVFPQQOSO-FTGFODROBV
SMILES :CC\C=C/CC\C=C\COC(=O)C
cas number :68555-65-7
(EINECS) number :271-442-1
fema number :3952
jecfa number :1188
molar refractivity :54.90 ± 0.3 cm3
parachor :468.9 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.907 ± 0.06 g/cm3
polarizability :21.76 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 182.2594200
formula :C11 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Bedoukian Research :e,z-2,6-NONADIENYL ACETATE
≥95.0% (trans,cis), Kosher
Odor:  A spicy cucumber odor with a violet leaf note on dilution.
Citrus and Allied Essences :trans-2, cis-6-nonadienyl acetate
Penta :2,6-nonadienyl acetate
Sigma-Aldrich-SAFC :trans-2,cis-6-Nonadienyl acetate
Kosher
Odor:  apple; oily; green; vegetable

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green leafy fatty nutty

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89700 to 0.90700 @ 25.00 °C.
pounds per gallon - calc. : 7.464 to 7.547
refractive index :1.44900 to 1.45900 @ 20.00 °C.
boiling point : 75.00 °C. @ 15.00 mm Hg
boiling point : 247.00 to 248.00 °C. @ 760.00 mm Hg
vapor pressure :0.04410 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 3.53

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.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E,Z)-2,6-nonadien-1-yl acetate usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for (E,Z)-2,6-nonadien-1-yl acetate usage levels up to :
  15.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 [(2E,6Z)-nona-2,6-dienyl] acetate
(EINECS) number :271-442-1
chemidplus :068555657
EPA Substance Registry Services :68555-65-7

references :
 [(2E,6Z)-nona-2,6-dienyl] acetate
jecfa number :1188
pubchem :687811

other :
synonyms :
(2E,6Z)-nona-2,6-dienyl acetate
[(2E,6Z)-nona-2,6-dienyl] acetate
(E)-2,(Z)-6-nonadien-1-yl acetate
2-trans-6-cis-nonadien-1-yl acetate
2,6-nonadien-1-yl acetate
trans-2,cis-6-nonadien-1-yl acetate
trans,cis-2,6-nonadien-1-yl acetate
(E,Z)-2,6-nonadienyl acetate
trans,cis-2,6-nonadienyl acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 algae absolute
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
para-anisyl acetate
para-anisyl alcohol
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 blood orange oil
 bois de rose oil
 carrot seed oil
 citronellyl acetate
 clary sage oil
 clover nitrile
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
gamma-decalactone
 decanal
 decyl acetate
 diethyl malonate
 ethyl (E,Z)-2,4-decadienoate
 ethyl cinnamate
 ethyl heptanoate
 ethyl vanillin
 floral pyranol
 gardenia oxide
 geranyl acetate
(E)-geranyl acetone
 grapefruit pentanol
 green acetate
 heliotropyl acetate
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl propionate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 marine pyridine
 melon heptenal
 melon nonenoate
 methyl 2-methyl valerate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl octine carbonate
 mimosa absolute
 muguet carboxaldehyde
 nerolidol
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nonanal
 nonanol
 ocean propanal
 octanal
(Z)-5-octen-1-ol
 orange oil
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl propionate
 phenyl acetaldehyde dimethyl acetal
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rose butanoate
 santall
 strawberry furanone
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
gamma-undecalactone
 vanillyl acetate
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene

(odor and/or flavor) used in :
 apple
 banana
 berry
 cucumber
 fruit
 melon watermelon muskmelon cantaloupe
 olive
 pear
 pepper
 spice
 tomato

natural occurrence in :
not found in nature



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