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
fl. number :16.091
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
XlogP3-AA : 4.40
molecular weight : 223.3544000 (IUPAC)
formula :C14 H25 N O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :Pellitorine

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 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 82.00 to 90.00 °C. @ 760.00 mm Hg
boiling point : 368.00 to 369.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point : 436.00  °F.  TCC  ( 224.44 °C. )
logP (o/w) : 3.92

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :57.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :83.00 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :770 (μg/person/day)
Threshold of concern :90 (μg/person/day)
 
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).
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 : 22
 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 : --
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.020001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.020001.00000
Edible ices, including sherbet and sorbet (03.0) : 0.2000010.00000
Processed fruit (04.1) : --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 2.00000100.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : --
Bakery wares (07.0) : 0.2000010.00000
Meat and meat products, including poultry and game (08.0) : 0.020001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.020001.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.020001.00000
Foodstuffs intended for particular nutritional uses (13.0) : --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 2.00000100.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 2.00000100.00000
Ready-to-eat savouries (15.0) : 0.020001.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.020001.00000

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
 
 
 
 (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
chemidplus :018836527
EPA Substance Registry Services :18836-52-7

references :
 (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
fl. number :16.091
jecfa number :1598
pubchem :171645

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
N-isobutyl (E,E)-2,4-decadienamide
(E,E)-N-isobutyl-2,4-decadienamide
N-isobutyldeca-trans-2-trans-4-dienamide
(E,E)-N-(2-methyl propyl)-2,4-decadienamide
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
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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