acetaldehyde di-(Z)-3-hexen-1-yl acetal
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IUPAC name :(Z)-1-[1-[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
InChI :InChI=1/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6-9,14H,4-5,10-13H2,1-3H3/b8-6-,9-7-
InChIKey :KCPFRJBAXWUXIG-VRHVFUOLBX
SMILES :CC\C=C/CCOC(C)OCC\C=C/CC
cas number :63449-64-9
(EINECS) number :264-154-2
fema number :4381
jecfa number :1747
molar refractivity :70.47 ± 0.3 cm3
parachor :600.2 ± 4.0 cm3
index of refraction :1.454 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :27.93 ± 0.5 10-24cm3
XlogP : 4.40
XlogP3-AA : 4.00
molecular weight : 226.3550400 (IUPAC)
formula :C14 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified
Suppliers :
Inoue :ACETALDEHYDE DICIS3HEXENYL ACETAL
Nanjing :3-hexene,1,1'-[ethylidenebis(oxy)]bis-,(3Z,3'Z)-
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		green leafy herbal
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84600 to 0.87000 @ 25.00 °C.
pounds per gallon - calc. : 7.040 to 7.239
refractive index :1.44200 to 1.44800 @ 20.00 °C.
boiling point : 278.00 to 279.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 177.00  °F.  TCC  ( 80.56 °C. )
logP (o/w) : 4.88
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for acetaldehyde di-(Z)-3-hexen-1-yl acetal usage levels up to :
  2.0000 % 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 : 2.00000300.00000
beverages(nonalcoholic) : 5.00000300.00000
beverages(alcoholic) : --
breakfast cereal : 2.00000300.00000
cheese : 2.00000300.00000
chewing gum : 5.00000500.00000
condiments / relishes : 2.00000300.00000
confectionery froastings : 5.00000500.00000
egg products : 2.00000300.00000
fats / oils : 5.00000500.00000
fish products : --
frozen dairy : 5.00000500.00000
fruit ices : 5.00000500.00000
gelatins / puddings : 5.00000500.00000
granulated sugar : --
gravies : 5.00000500.00000
hard candy : 5.00000500.00000
imitation dairy : 5.00000500.00000
instant coffee / tea : --
jams / jellies : 5.00000500.00000
meat products : 2.00000300.00000
milk products : --
nut products : --
other grains : 5.00000500.00000
poultry : --
processed fruits : 5.00000500.00000
processed vegetables : 5.00000500.00000
reconstituted vegetables : --
seasonings / flavors : 5.00000500.00000
snack foods : 2.00000300.00000
soft candy : 5.00000500.00000
soups : 2.00000300.00000
sugar substitutes : --
sweet sauces : 5.00000500.00000
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 (Z)-1-[1-[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
(EINECS) number :264-154-2
chemidplus :063449649
EPA Substance Registry Services :63449-64-9
references :
 (Z)-1-[1-[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
jecfa number :1747
pubchem :690367
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetaldehyde di-(cis)-3-hexenyl acetal
 acetaldehyde di-(Z)-3-hexenyl acetal
(Z,Z)-1,1'-(ethylidene bis(oxy)) di(hex-3-ene)
cis,cis-1,1'-(ethylidene bisoxy) dihex-3-ene
cis,cis-1,1'-(ethylidenebis-oxy)dihex-3-ene
(Z)-1-[1-[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
 leaf alcohol (dihexenyl) acetal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde dipropyl acetal
 acetaldehyde ethyl phenethyl acetal
6-acetoxydihydrotheaspirane
 allyl anthranilate
alpha-amyl cinnamyl formate
 basil absolute sweet
 bromstyrol
isobutyl angelate
isobutyl heptanoate
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
 cajuput oil vietnam
alpha-campholenic aldehyde
 chamomile oil
 cinnamyl formate
(-)-cubenol
 cuminaldehyde
neocyclocitral
isocyclogeraniol
 dihydrorose oxide
 dill weed oil
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 estragole
 ethyl 4-pentenoate
 fig leaf absolute
 galbanum oleoresin
 geranium absolute
 geranium oil africa
 geranium oil egypt
 heptanal
 heptanol
 heptyl cinnamate
 herbal cyclohexane
 herbal dioxane
 herbal heptane
(E,E)-2,4-hexadien-1-ol
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(E)-4-hexen-1-ol
(Z)-2-hexen-1-ol
(Z)-4-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
 hexoxyacetaldehyde dimethyl acetal
 hop absolute
 hop oil
 ivy leaf absolute
 leafy acetal
 linalyl formate
 linalyl octanoate
 marigold oil mexico
 mate absolute
 methyl heptine carbonate
(E)-6-methyl-3-hepten-2-one
3-methyl-3-pentanol
 mistletoe absolute
 neryl formate
(E,Z)-2,6-nonadien-1-yl acetate
 nonisyl formate
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
3-octen-1-yl acetate
(Z)-5-octen-1-yl propionate
 origanum oil
 parsley leaf oil
2-pentyl cyclopentanone
 perillaldehyde
 petitgrain combava oil
isophytol
 plectranthus glandulosus hook f. leaf oil cameroon
isopropyl phenyl propionaldehyde
2-propyl thiazole
isopulegol
 reseda absolute
 rose leaf absolute
 rose pyran
 rosemary oleoresin
 seaweed absolute
 styralyl acetate
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 theaspirane
alpha-thujene
 thyme absolute
 timber dioxolane
 treemoss absolute
 tricyclodecyl acetate
 tropical indene
 viridiflorol
 wormwood oil
(odor and/or flavor) used in :
 balsam
 green
 herbal
 leaf
natural occurrence in :
not found in nature



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