(E,E,Z)-2,4,7-decatrien-1-al
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IUPAC name :(2E,4E,7Z)-deca-2,4,7-trienal
InChI :InChI=1/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3-,7-6+,9-8+
InChIKey :KEXCNWISTVJVBV-YPVUHSJLBN
SMILES :CC\C=C/C\C=C\C=C\C=O
cas number :66642-86-2
fema number :4089
fl. number :05.200
molar refractivity :48.73 ± 0.3 cm3
parachor :400.5 ± 4.0 cm3
index of refraction :1.479 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.874 ± 0.06 g/cm3
polarizability :19.32 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 150.2175600
formula :C10 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :2-trans-4trans-7-cis-decatrienal

organoleptics :
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green citrus

properties :
appearence :pale yellow to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 258.00 to 259.00 °C. @ 760.00 mm Hg
flash point : 265.00  °F.  TCC  ( 129.44 °C. )
logP (o/w) : 2.67

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

safety in use :
 
recommendation for (E,E,Z)-2,4,7-decatrien-1-al usage levels up to :
  0.2000 % 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.
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 0.020000.06000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : 0.100000.30000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : 0.100000.30000
fish products : 0.020000.06000
frozen dairy : --
fruit ices : 0.020000.06000
gelatins / puddings : 0.100000.30000
granulated sugar : --
gravies : --
hard candy : 0.020000.06000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.020000.06000
milk products : 0.020000.06000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : 0.010000.03000
seasonings / flavors : --
snack foods : --
soft candy : 0.100000.30000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 
 (2E,4E,7Z)-deca-2,4,7-trienal
chemidplus :066642862
EPA Substance Registry Services :66642-86-2

references :
 (2E,4E,7Z)-deca-2,4,7-trienal
fl. number :05.200
pubchem :759128

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(2E,4E,7Z)-deca-2,4,7-trienal
(2E,4E,7Z)-decatrien-1-al
2-trans-4-trans-7-cis-decatrien-1-al
(2E,4E,7Z)-decatrienal
2-trans-4-trans-7-cis-decatrienal

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 citral diethyl acetal
 citronellal
 citronellyl butyrate
 decanal dimethyl acetal
 dihydrocitronellyl ethyl ether
(Z)-beta-farnesene
 green carboxylate
 green hexanal
(Z)-3-hexen-1-yl oxyacetaldehyde
(Z)-linalool oxide (pyranoid)
 linalyl acetate
dextro-linalyl acetate
laevo-linalyl acetate
 linalyl formate
 melon heptenal propylene glycol acetal
 methyl acetoacetate
 methyl heptenone
alpha-methylene citronellal
 nerolidol
(E)-nerolidol
(E,E)-2,6-nonadien-1-al
 nonanal dimethyl acetal
 octanal diethyl acetal
(E)-2-octen-1-ol
 tangerine acetate
 undecanal

(odor and/or flavor) used in :
 citrus
 green

natural occurrence in :
found in nature



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