isobutyl (E,E)-2,4-decadienamide
 
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IUPAC name :(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
InChI :InChI=1/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
InChIKey :MAGQQZHFHJDIRE-BNFZFUHLBO
SMILES :CCCCC\C=C\C=C\C(=O)NCC(C)C
cas number :18836-52-7
beilstein number :1725967
fema number :4148
jecfa number :1598
molar refractivity :70.60 ± 0.3 cm3
parachor :593.9 ± 4.0 cm3
index of refraction :1.469 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.882 ± 0.06 g/cm3
polarizability :27.99 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 223.3544000
formula :C14 H25 N O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :spicy
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
spicy herbal
properties : 
appearence :colorless to pale yellow solid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 82.00 - 90.00 °C. @ 760.00 mm Hg
boiling point : 368.00 - 369.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 3.92
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 436.00  °F.  TCC  ( 224.44 °C. )
  
recommendation for isobutyl (E,E)-2,4-decadienamide 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).
publication number : 22.
4148 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 10.0000025.00000
beverages(alcoholic) : 20.00000100.00000
breakfast cereal : --
cheese : --
chewing gum : 300.00000500.00000
condiments / relishes : 10.0000050.00000
confectionery froastings : 10.0000030.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : 10.0000025.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 25.00000100.00000
imitation dairy : --
instant coffee / tea : 10.0000020.00000
jams / jellies : --
meat products : 25.0000050.00000
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 200.000002000.00000
snack foods : 20.00000100.00000
soft candy : 25.0000050.00000
soups : 10.0000030.00000
sugar substitutes : --
sweet sauces : --
safety links : 
chemidplus :018836527
epa-srs :18836-52-7
  
other : 
 
references : 
jecfa number :1598
pubchem :171645
  
synonyms :
isobutyl (E,E)-2,4-decadienamide
N-isobutyl (E,E)-2,4-decadienamide
(E,E)-N-isobutyl-2,4-decadienamide
(E,E)-N-(2-methyl propyl)-2,4-decadienamide
trans-pellitorin
(E)-pellitorine
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 agrumen nitrile
sec-butyl-3-methyl but-2-ene thioate
 calamenene
 carrot leaf oil
 carrot weed oil
 carvacryl ethyl ether
 carvacryl methyl ether
 cinnamaldehyde dimethyl acetal
 coriander seed absolute
 coriander seed concrete
 coriander seed oil
(-)-cubenol
 cuminyl alcohol
 currant bud absolute black
2,4-dimethyl anisole
 fleabane oil
2-heptanone
 herbal acetal
 hexyl 3-mercaptobutanoate
 marjoram oil sweet cuba
 marjoram oil sweet cyprus
 marjoram oil sweet egypt
 marjoram oil sweet morocco
para-menth-1-en-9-al
1-para-menthen-9-yl acetate
T-muurolol
3-nonanol
3-octen-2-one
 parsley seed oil
 patchouli absolute
 perillyl acetate
 privet dioxane
 saffron indenone
 safranal
 thymyl methyl ether
(odor and/or flavor) used in :
 arnica
 caraway
 cassis black currant bud
 coriander
 ginger white ginger
 hollyberry
 marjoram
 saffron
 wormwood absinthium
natural occurrence in :
not found in nature



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