| Name: | 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide |
| CAS Number: | 69444-90-2 |  3D/inchi
|
| FDA UNII: | Search |
| XlogP3: | 2.70 (est) |
| Molecular Weight: | 371.43325000 |
| Formula: | C21 H25 N O5 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Mixture of (Z)- and (E)-isomer (EFFA, 2010a). (Flavour Industry, 2006v). Composition of stereoisomeric mixture to be specified. Register name to be changed to 3-(3,4-Dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-ethyl]-acrylamide.
(Flavour Industry, 2006b). 95 % (E)-isomer (EFFA, 2014). |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white solid (est) |
| Assay: | 99.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Melting Point: | 127.90 °C. @ 760.00 mm Hg
|
| Boiling Point: | 586.00 to 587.00 °C. @ 760.00 mm Hg (est)
|
| Flash Point: | 588.00 °F. TCC ( 308.70 °C. ) (est)
|
| logP (o/w): | 2.432 (est) |
| Soluble in: |
| | alcohol, slightly | | | water, 19.53 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Description:savory meat |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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: |
|
Not determined
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3000 (μg/person/day) |
| NOEL (No Observed Effect Level): | 8.36 (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. Update in publication number(s): 26 |
| Click here to view publication 23 |
| | average usual ppm | average maximum ppm |
| baked goods: | 10.00000 | 50.00000 |
| beverages(nonalcoholic): | 3.00000 | 20.00000 |
| beverages(alcoholic): | 5.00000 | 25.00000 |
| breakfast cereal: | - | - |
| cheese: | 10.00000 | 50.00000 |
| chewing gum: | 50.00000 | 100.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 10.00000 | 20.00000 |
| egg products: | 10.00000 | 50.00000 |
| fats / oils: | 10.00000 | 50.00000 |
| fish products: | 10.00000 | 50.00000 |
| frozen dairy: | - | - |
| fruit ices: | 5.00000 | 10.00000 |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | 10.00000 | 50.00000 |
| hard candy: | 10.00000 | 30.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | 5.00000 | 10.00000 |
| jams / jellies: | - | - |
| meat products: | 10.00000 | 75.00000 |
| milk products: | 3.00000 | 10.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | 10.00000 | 75.00000 |
| processed fruits: | - | - |
| processed vegetables: | 10.00000 | 75.00000 |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 10.00000 | 75.00000 |
| snack foods: | 10.00000 | 75.00000 |
| soft candy: | 5.00000 | 20.00000 |
| soups: | 10.00000 | 75.00000 |
| 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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 10.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - |
| Edible ices, including sherbet and sorbet (03.0): | 5.00000 | 10.00000 |
| Processed fruit (04.1): | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 10.00000 | 20.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - |
| Bakery wares (07.0): | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0): | - | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 20.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 3.00000 | 20.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 5.00000 | 25.00000 |
| Ready-to-eat savouries (15.0): | 10.00000 | 30.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 10.00000 |
Safety References:
References:
| | 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 1042025 |
| Pubchem (sid): | 135322177 |
Other Information:
Potential Blenders and core components note
| For Odor |
| alliaceous |
dimethyl trisulfide
FL/FR |
| burnt |
rum ether
FL/FR |
| coffee |
coffee difuran
FL/FR |
| meaty |
meaty dithiane
FL/FR |
4- methyl nonanoic acid
FL/FR |
sulfuryl acetate
FL/FR |
| musty |
hazelnut pyrazine
FL/FR |
| nutty |
4,5- dimethyl-2-ethyl-3-thiazoline
FL/FR |
2- methyl pyrazine
FL/FR |
2- methyl-3-(methyl thio) pyrazine
FL/FR |
| sulfurous |
ethyl 3-mercaptopropionate
FL/FR |
fish thiol
FL/FR |
2- mercaptopropionic acid
FL/FR |
4- methyl 4-mercaptopentan-2-one 1% solution
FL/FR |
1- phenethyl mercaptan
FL/FR |
| For Flavor |
| No flavor group found for these |
4- acetyl-2-methyl pyrimidine
FL |
gamma- aminobutyric acid
FL |
amyl mercaptan
FL |
2-(2- butyl)-4,5-dimethyl-3-thiazoline
FL |
cyclopropyl (E,Z)-2,6-nonadienamide
FL |
2,5- diethyl thiazole
FL |
dimethyl tetrasulfide
FL |
2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL |
bis(2,5- dimethyl-3-furyl) disulfide
FL |
2,5- dimethyl-3-thiofuroyl furan
FL |
ethyl (E,Z)-2,6-nonadienamide
FL |
S- ethyl 2-acetyl aminoethane thioate
FL |
ethyl 3-mercaptopropionate
FL/FR |
ethyl 4-(acetyl thio) butyrate
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL |
4- methyl 4-mercaptopentan-2-one 1% solution
FL/FR |
methyl dihydrofuran thiol
FL |
2- methyl thiazolidine
FL |
2-( methyl thio) ethanol
FL |
2- methyl-3-(methyl thio) pyrazine
FL/FR |
2- methyl-3-furyl tetrasulfide
FL |
3-((2- methyl-3-furyl)thio)-4-heptanone
FL |
4-((2- methyl-3-furyl)thio)-5-nonanone
FL |
1,9- nonane dithiol
FL |
peanut dithiazine
FL |
1- phenethyl mercaptan
FL/FR |
1,3- propane dithiol
FL |
iso propyl disulfide
FL |
thiazole
FL |
3- thienyl mercaptan
FL |
|
3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
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 |
1,3- butane dithiol
FL |
dimethyl trisulfide
FL/FR |
3- tetrahydrothiophenone
FL |
| burnt |
bacon dithiazine
FL |
1,6- hexane dithiol
FL |
rum ether
FL/FR |
| chemical |
2,5- dimethyl furan
FL |
| cocoa |
butyraldehyde
FL |
| coffee |
coffee difuran
FL/FR |
| earthy |
difurfuryl sulfide
FL |
1,8- octane dithiol
FL |
| eggy |
iso propyl mercaptan
FL |
| fatty |
4- methyl nonanoic acid
FL/FR |
| meaty |
4- allyl-2,6-dimethoxyphenol
FL |
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 |
4- furfuryl thio-2-pentanone
FL |
meaty dithiane
FL/FR |
2- mercaptomethyl pyrazine
FL |
2- mercaptopropionic acid
FL/FR |
2- methyl 3-(methyl thio) furan
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 |
propyl 2-mercaptopropionate
FL |
propyl 2-methyl-3-furyl disulfide
FL |
pyrazinyl ethane thiol
FL |
2- pyridinyl methane thiol
FL |
sulfuryl acetate
FL/FR |
thialdine
FL |
ortho- thiocresol
FL |
ortho- thioguaiacol
FL |
| metallic |
2,5- dihydroxy-1,4-dithiane
FL |
| musty |
hazelnut pyrazine
FL/FR |
| nutty |
3,5- diethyl-2-methyl pyrazine
FL |
2,5- diethyl-3-methyl pyrazine
FL |
4,5- dimethyl-2-ethyl-3-thiazoline
FL/FR |
2- methyl pyrazine
FL/FR |
nutty thiazole
FL |
| onion |
furfuryl isopropyl sulfide
FL |
| popcorn |
2- propionyl-2-thiazoline
FL |
| roasted |
hexyl mercaptan
FL |
| savory |
N-(2,4- dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL |
N-( heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL |
N1-(2- methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL |
N1-(2- methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL |
| sulfurous |
2,3- butane dithiol
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 |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 3-(3,4- | dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide | | 3-(3,4- | dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-ethyl]-acrylamide | | 3-(3,4- | dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide | | N-[2-(3,4- | dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide |
Articles:
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