3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
N-3,7-dimethyl-2,6-octadienylcyclopropylcarboxamide

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Name: N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboximidic acid CAS Number: 744251-93-2 3D/inchi FDA UNII: 0T7H9YA5WZ XlogP3-AA: 3.40 (est) Molecular Weight: 221.34351000 Formula: C14 H23 N O NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: (Flavour Industry, 2004). Category:flavor enhancers   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 Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 1779 N-3,7-dimethyl-2,6-octadienyl cyclopropylcarboxamide DG SANTE Food Flavourings: 16.095 cyclopropanecarboxamide, N-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]- FEMA Number: 4267 N-3,7-dimethyl-2,6-octadienylcyclopropylcarboxamide FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 744251-93-2 ; N-3,7-DIMETHYL-2,6-OCTADIENYLCYCLOPROPYLCARBOXAMIDE   Physical Properties: Appearance: white to pale yellow solid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 53.00 °C. @ 760.00 mm Hg Boiling Point: 388.00 to 389.00 °C. @ 760.00 mm Hg (est) Flash Point: 456.00 °F. TCC ( 235.70 °C. ) (est) logP (o/w): 3.255 (est) Soluble in:   alcohol, slightly   water, slightly   water, 8.726 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: meaty cooked brown roasted meaty Odor Description:at 0.10 % in propylene glycol. cooked brown roasted meaty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Parchem 3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   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: oral-rat LD50 > 2000 mg/kg (Merkel, 2004) Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavor enhancers Recommendation for 3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 61.00 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 31.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 380 (μg/person/day) NOEL (No Observed Effect Level): 92.00 (mg/kg bw per 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: 23 Click here to view publication 23   average usual ppm average maximum ppm baked goods: 0.20000 1.00000 beverages(nonalcoholic): 0.40000 2.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: 2.00000 8.00000 chewing gum: - - condiments / relishes: 4.00000 20.00000 confectionery froastings: - - egg products: 2.00000 10.00000 fats / oils: - - fish products: 2.00000 10.00000 frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: 4.00000 10.00000 hard candy: - - imitation dairy: 2.00000 10.00000 instant coffee / tea: - - jams / jellies: - - meat products: 2.00000 10.00000 milk products: - - nut products: 1.00000 4.00000 other grains: - - poultry: 2.00000 10.00000 processed fruits: - - processed vegetables: 1.00000 5.00000 reconstituted vegetables: 1.00000 4.00000 seasonings / flavors: - - snack foods: 5.00000 20.00000 soft candy: - - soups: 2.00000 10.00000 sugar substitutes: - - sweet sauces: 2.00000 10.00000   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/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): 0.01000 0.05000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.01000 0.05000 Edible ices, including sherbet and sorbet (03.0): 0.10000 0.50000 Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 1.00000 5.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): - - Bakery wares (07.0): 0.10000 0.50000 Meat and meat products, including poultry and game (08.0): 0.01000 0.05000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.01000 0.05000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.01000 0.05000 Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 1.00000 5.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.00000 5.00000 Ready-to-eat savouries (15.0): 0.01000 0.05000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.01000 0.05000   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): Scientific Opinion on Flavouring Group Evaluation 94: Consideration of aliphatic amines and amides evaluated in addendum to the JECFA group aliphatic and aromatic amines and amides by JECFA View page or View pdf Scientific Opinion on Flavouring Group Evaluation 300 (FGE.300): One cyclo-aliphatic amide from chemical group 33 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 (FGE.94Rev1): Consideration of aliphatic amines and amides evaluated in an addendum to the group of aliphatic and aromatic amines and amides evaluated by the JECFA (68th meeting) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 94, Revision 2 (FGE.94Rev2): Consideration of aliphatic amines and amides evaluated in an addendum to the group of aliphatic and aromatic amines and amides evaluated by the JECFA (68th meeting) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :11658617 National Institute of Allergy and Infectious Diseases:Data N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboximidic acid Chemidplus:0744251932   References:   N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboximidic acid NIST Chemistry WebBook: Search Inchi Pubchem (cid): 11658617 Pubchem (sid): 23759374   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View CHEMBL: View HMDB (The Human Metabolome Database): HMDB32240 FooDB: FDB009327 ChemSpider: View   Potential Blenders and core components note For Odor alliaceous dimethyl trisulfide FL/FR methyl furfuryl disulfide FL/FR burnt rum ether FL/FR chocolate 2,6- dimethyl pyrazine FL/FR coffee coffee difuran FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR earthy nutty pyrazine FL/FR fermented ethyl crotonate FL/FR fruity tropical thiazole FL/FR tropical trithiane FL/FR green 2- heptyl furan FL/FR (E,Z)-2,6- nonadienal FL/FR meaty meaty dithiane FL/FR 4- methyl nonanoic acid FL/FR sulfurol FL/FR sulfuryl acetate FL/FR moldy strawberry furanone methyl ether FL/FR musty hazelnut pyrazine FL/FR nutty 2- ethyl pyrazine FL/FR 2- ethyl-4-methyl thiazole FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR phenolic 2,3- dimethyl benzofuran FL/FR ortho- guaiacol FL/FR 4- vinyl phenol FL/FR smoky pyroligneous acids FL/FR sulfurous benzothiazole FL/FR ethyl 2-mercaptopropionate FL/FR ethyl 3-mercaptopropionate FL/FR fish thiol FL/FR 2- mercaptopropionic acid FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR 2-( methyl thio) phenol FL/FR 1- phenethyl mercaptan FL/FR tobacco methyl benzoxole FL/FR For Flavor No flavor group found for these 4- acetyl-2-methyl pyrimidine FL amyl mercaptan FL 1,2- butane dithiol FL 2-(2- butyl)-4,5-dimethyl-3-thiazoline FL 2,5- diethyl thiazole FL dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine FL dimethyl tetrasulfide FL 2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone FL bis(2,5- dimethyl-3-furyl) disulfide FL (Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL 2,5- dimethyl-3-thiofuroyl furan FL S- ethyl 2-acetyl aminoethane thioate FL ethyl 3-mercaptopropionate FL/FR 2- ethyl-3-methyl thiopyrazine FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 2- hexyl thiophene FL 1-(3- hydroxy-5-methyl-2-thienyl) ethanone FL 3- mercapto-3-methyl butyl formate FL 4- mercapto-3-methyl-2-butanol FL 4- methoxybenzoyl oxyacetic acid FL 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl dihydrofuran thiol FL 2- methyl thiazolidine FL 2- methyl-1-butane thiol FL 4- methyl-2-(methyl thiomethyl)-2-hexenal FL 2- methyl-2-thiazoline FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 3-((2- methyl-3-furyl)thio)-4-heptanone FL 4-((2- methyl-3-furyl)thio)-5-nonanone FL 1,9- nonane dithiol FL 1- phenethyl mercaptan FL/FR iso propyl disulfide FL 2-iso propyl-3-(methyl thio) pyrazine FL sodium methoxybenzoyl oxyacetate FL thiazole FL 3- thienyl mercaptan FL thioacetic acid FL 3,5- diisopropyl-1,2,4-trithiolane FL 3,5- dimethyl-1,2,4-trithiolane FL 2,4- dimethyl-3-oxazoline FL 4- mercapto-2-pentanone 1% in acetoin FL 2- methyl-1-methyl thio-2-butene FL pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL 1-(2- thienyl) butanone FL alliaceous alliaceous allyl disulfide FL allyl mercaptan FL 1,3- butane dithiol FL cyclopentyl mercaptan FL dimethyl trisulfide FL/FR 3- mercapto-2-pentanone FL 3- tetrahydrothiophenone FL tropical thiazole FL/FR burnt bacon dithiazine FL 1,6- hexane dithiol FL rum ether FL/FR chemical 2,3- dimethyl benzofuran FL/FR 2,5- dimethyl furan FL coffee coffee difuran FL/FR 2- ethyl-4-methyl thiazole FL/FR methyl furfuryl disulfide FL/FR earthy difurfuryl sulfide FL 1,8- octane dithiol FL eggy iso propyl mercaptan FL fatty 2- heptyl furan FL/FR 4- methyl nonanoic acid FL/FR 2- pentyl thiophene FL fruity tropical trithiane FL/FR green 4- methyl thiazole FL (E,Z)-2,6- nonadienal FL/FR 4- penten-1-yl acetate FL meaty 4- allyl-2,6-dimethoxyphenol FL benzothiazole FL/FR 2,6- dimethyl pyrazine FL/FR 2,6- dimethyl thiophenol FL 2,5- dimethyl-3-furan thiol FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL furfuryl 2-methyl-3-furyl disulfide FL meaty dithiane FL/FR 3- mercapto-2-butanone FL (R,S)-2- mercapto-3-butanol FL 2- mercaptomethyl pyrazine FL 2- mercaptopropionic acid FL/FR 2- methyl 3-(methyl thio) furan FL 2-( methyl thio) phenol FL/FR methyl thiofuryl butanal FL 12- methyl tridecanal FL bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL 2- methyl-3-tetrahydrofuran thiol FL 2- methyl-3-thioacetoxytetrahydrofuran FL phenyl mercaptan FL propyl 2-mercaptopropionate FL pyrazinyl ethane thiol FL 2- pyridinyl methane thiol FL sulfurol FL/FR sulfuryl acetate FL/FR thialdine FL ortho- thiocresol FL ortho- thioguaiacol FL metallic 2,5- dihydroxy-1,4-dithiane FL moldy strawberry furanone methyl ether FL/FR musty hazelnut pyrazine FL/FR nutty 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-4-methyl thiazole FL 3,5- diethyl-2-methyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 2- ethyl pyrazine FL/FR methyl benzoxole FL/FR nutty pyrazine FL/FR nutty thiazole FL onion ethyl 2-mercaptopropionate FL/FR furfuryl isopropyl sulfide FL phenolic 2- ethyl benzene thiol FL 4- vinyl phenol FL/FR popcorn 2- propionyl-2-thiazoline FL radish 3-( methyl thio) propyl mercaptoacetate FL roasted hexyl mercaptan FL rummy ethyl crotonate FL/FR smoky prosopis juliflora wood extract FL pyroligneous acids FL/FR sulfurous 2,3- butane dithiol FL ethyl methyl sulfide FL S- ethyl thioacetate FL fish thiol FL/FR methyl 2-methyl-3-furyl disulfide FL 3- methyl-2-butane thiol FL 2- naphthyl mercaptan FL roasted butanol FL vegetable tyramine FL wasabi 2-( methyl thio) ethyl acetate FL woody ortho- guaiacol FL/FR yeasty faex extracts FL   Potential Uses: FL meat   Occurrence (nature, food, other):note   not found in nature   Synonyms:   cyclopropanecarboxamide, N-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]- N-3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide 3,7- dimethyl-2,6-octadienyl cyclopropyl carboxamide N-3,7- dimethyl-2,6-octadienyl cyclopropyl carboxamide N-3,7- dimethyl-2,6-octadienyl cyclopropylcarboxamide N-[(2E)-3,7- dimethyl-2,6-octadienyl]-cyclopropanecarboxamide 3,7- dimethyl-2,6-octadienylcyclopropylcarboxamide N-3,7- dimethyl-2,6-octadienylcyclopropylcarboxamide N-[(2E)-3,7- dimethylocta-2,6-dien-1-yl]cyclopropanecarboximidic acid   Articles: US Patents:7,794,768 - Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions

Notes: Used as a food additive [EAFUS]