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)-
orders in chinese.
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 :
Category :cosmetic, flavor and fragrance agents
 
recommendation for acetaldehyde di-(Z)-3-hexen-1-yl acetal fragrance 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-hexen-1-yl acetal
 acetaldehyde di-(Z)-3-hexenyl acetal
(Z,Z)-1,1'-(ethylidene bis(oxy)) di(hex-3-ene)
cis,cis-1,1'-(ethylidenebis-oxy)dihex-3-ene
cis,cis-1,1'-(ethylidene bisoxy) dihex-3-ene
(Z)-1-[1-[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
 leaf alcohol (dihexenyl) acetal
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
6-acetoxydihydrotheaspiraneFL/FR
 allyl anthranilateFL/FR
alpha-amyl cinnamyl formateFL/FR
 basil absolute sweetFL/FR
 bromstyrolCS
isobutyl angelateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
 cajuput oil vietnamFL/FR
alpha-campholenic aldehydeFL/FR
 chamomile oilFL/FR
 cinnamyl formateFL/FR
(-)-cubenol 
 cuminaldehydeFL/FR
neocyclocitralFR
isocyclogeraniolFR
 dihydrorose oxideFR
 dill weed oilFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 dipentene terpene hydrocarbon byproductsFR
 estragoleFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 galbanum oleoresinFL
 geranium absoluteFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 heptanalFL/FR
 heptanolFL/FR
 heptyl cinnamateFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
(E,E)-2,4-hexadien-1-ol 
(E)-2-hexen-1-alFL
2-hexen-1-alFL
3-hexen-1-alFL/FR
(E)-2-hexen-1-olFL/FR
(E)-4-hexen-1-olFL
(Z)-2-hexen-1-olFL/FR
(Z)-4-hexen-1-olFL/FR
2-hexen-1-olFL/FR
3-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hop absoluteFL/FR
 hop oilFL/FR
 ivy leaf absoluteFR
 leafy acetalFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexico 
 mate absoluteFL/FR
 methyl heptine carbonateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
3-methyl-3-pentanolFL
 mistletoe absolute 
 neryl formateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 nonisyl formateFR
 octanal dimethyl acetalFL/FR
(E)-2-octen-1-alFL/FR
(Z)-2-octen-1-al 
3-octen-1-yl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 origanum oilFL/FR
 parsley leaf oilFL/FR
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
 petitgrain combava oilCS
isophytolFL/FR
 plectranthus glandulosus hook f. leaf oil cameroon 
isopropyl phenyl propionaldehydeFR
2-propyl thiazoleFL
isopulegolFL/FR
 reseda absoluteFR
 rose leaf absoluteFL/FR
 rose pyranFR
 rosemary oleoresinFL/FR
 seaweed absoluteFL/FR
 styralyl acetateFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 theaspiraneFL/FR
alpha-thujene 
 thyme absoluteFL/FR
 timber dioxolaneFR
 treemoss absoluteFR
 tricyclodecyl acetateFR
 tropical indeneFR
 viridiflorolFL/FR
 wormwood oilFL/FR
potential uses :
 balsam
 green
 herbal
 leaf
natural occurrence in :    note
 not found in nature  

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