isobutyl (E,E)-2,4-decadienamide
N-isobutyldeca-trans-2-trans-4-dienamide
 
Notes:
consists of piper sylvaticum roxb. Constit. of Achillea millefolium (yarrow)
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(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide (Click)
CAS Number: 18836-52-7Picture of molecule
Other: 53608-76-7
FDA UNII: 8IS5231171
Nikkaji Web: J10.444B
Beilstein Number: 1725967
MDL: MFCD01735995
XlogP3-AA: 4.40 (est)
Molecular Weight: 223.35945000
Formula: C14 H25 N O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1598  N-isobutyl (E,E)-2,4-decadienamide
Flavis Number: 16.091 (Old)
DG SANTE Food Flavourings: 16.091  deca-(2E,4E)-dienoic acid isobutyl-amide
FEMA Number: 4148  N-isobutyldeca-trans-2-trans-4-dienamide
FDA Mainterm: N-ISOBUTYLDECA-TRANS-2-TRANS-4-DIENAMIDE
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Physical Properties:
Appearance: colorless to pale yellow solid (est)
Assay: 95.00 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): 3.943 (est)
Soluble in:
 alcohol
 water, 8.513 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: spicy
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 spicy  herbal  
Odor Description:
at 1.00 % in dipropylene glycol. 
spicy herbal
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
2,4-Decadienamide,N-(2-methylpropyl)-, (2E,4E)-
BOC Sciences
For experimental / research use only.
Pellitorine
Parchem
isobutyl (E,E)-2,4-decadienamide
Santa Cruz Biotechnology
For experimental / research use only.
Pellitorine
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isobutyl (E,E)-2,4-decadienamide usage levels up to:
  0.2000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (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)
Structure Class: III
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 Flavor Ingredient Library
publication number: 22
Click here to view publication 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 (EFSA, 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 (EFSA, 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
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting)
View page or View pdf
Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting)
View page or View pdf
EPI System: View
Toxicology Citations: Search
EPA GENetic TOXicology: Search
Env. Mutagen Info. Center: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5318516
National Institute of Allergy and Infectious Diseases: Data
 (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
Chemidplus: 0018836527
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References:
 (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5318516
Pubchem (sid): 135204802
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB30951
FooDB: FDB002929
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 calamenene 
para-menth-1-en-9-alFL/FR
aldehydic
 agrumen nitrileFR
cheesy
2-heptanoneFL/FR
earthy
3-octen-2-oneFL/FR
floral
 coriander seed oilFL/FR
 perillyl acetateFL/FR
green
sec-butyl-3-methyl but-2-ene thioateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 privet dioxaneFR
herbal
 carvacryl methyl etherFL/FR
 coriander seed absoluteFL/FR
 coriander seed concreteFR
 herbal acetalFR
1-para-menthen-9-yl acetateFL/FR
T-muurololFL/FR
3-nonanolFL/FR
curled parsley seed oilFL/FR
 saffron indenoneFL/FR
 safranalFL/FR
 thymyl methyl etherFL/FR
spicy
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
 origanum majorana oilFL/FR
 origanum majorana oil cubaFL/FR
 origanum majorana oil moroccoFL/FR
woody
 patchouli absoluteFR
 
For Flavor
 
No flavor group found for these
sec-butyl-3-methyl but-2-ene thioateFL/FR
 calamenene 
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
2,4-dimethyl anisoleFL
 fleabane oil (erigeron canadensis)FL
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
para-menth-1-en-9-alFL/FR
T-muurololFL/FR
3-nonanolFL/FR
 saffron indenoneFL/FR
 hexyl 3-mercaptobutanoateFL
berry
 perillyl acetateFL/FR
cheesy
2-heptanoneFL/FR
creamy
3-octen-2-oneFL/FR
fruity
1-para-menthen-9-yl acetateFL/FR
 carrot weed oilFL/FR
herbal
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 origanum majorana oilFL/FR
curled parsley seed oilFL/FR
musty
 thymyl methyl etherFL/FR
spicy
 cinnamaldehyde dimethyl acetalFL/FR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 origanum majorana oil cubaFL/FR
 origanum majorana oil moroccoFL/FR
woody
 safranalFL/FR
 
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Potential Uses:
 arnicaFR
 carawayFL/FR
 cassis black currant budFL/FR
 corianderFL/FR
 ginger whiteFR
 hollyberryFR
 marjoramFL/FR
 saffronFR
 wormwood absinthiumFL/FR
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Occurrence (nature, food, other): note
 pepper black pepper
Search Trop  Picture
 pepper black pepper fruit
Search Trop  Picture
 tarragon
Search Trop  Picture
 yarrow
Search Trop  Picture
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Synonyms:
N-isobutyl (E,E)-2,4-decadienamide
(2E,4E)-N-isobutyl Decadienamide
isobutyl trans,trans-2,4-decadienamide
(E,E)-N-isobutyl-2,4-decadienamide
E,E-N-isobutyl-2,4-decadienamide
(2E,4E)-N-isobutyldeca-2,4-dienamide
N-isobutyldeca-trans-2-trans-4-dienamide
2,4-decadienamide, N-(2-methylpropyl)-, (2E,4E)-
2,4-decadienamide, N-(2-methylpropyl)-, (E,E)-
2,4-decadienamide, N-isobutyl-, (E,E)-
(E,E)-N-(2-methyl propyl)-2,4-decadienamide
(E,E)-N-(2-methylpropyl)-2,4-decadienamide
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
(E)-pellitorin
trans-pellitorin
(E)-pellitorine
trans-pellitorine
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Articles:
Info: aliphatic and aromatic amines and amides
US Patents: 8,007,841 - Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof
PubMed: Evaluation of unsaturated alkanoic acid amides as maskers of epigallocatechin gallate astringency.
US Patents: Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof
US Patents: Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof
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