(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
(2S,5R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide
 
Notes:
Chemical Nomenclature provided by BARK Information Services.
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CAS Number: 1119711-29-3Picture of molecule3D/inchi
Molecular Weight: 316.44456000
Formula: C19 H28 N2 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor enhancers, flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 2078  (2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
DG SANTE Food Flavourings: 16.125  (2S,5R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide
FEMA Number: 4684 (2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1119711-29-3 ; (2S,5R)-N-[4-(2-AMINO-2-OXOETHYL)PHENYL]-5-METHYL-2-(PROPAN-2-YL)CYCLOHEXANECARBOXAMIDE
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Physical Properties:
Appearance: white crystalline solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 186.00 to  188.00 °C. @ 760.00 mm Hg
Boiling Point: 549.00 to  550.00 °C. @ 760.00 mm Hg (est)
Flash Point: 547.00 °F. TCC ( 286.20 °C. ) (est)
logP (o/w): 3.745 (est)
Soluble in:
 alcohol
 water, 7.276 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
 
Flavor Type: cooling
 
 cooling  bitter  
Taste Description:
at 10.00 ppm in water.  
moderate throat and mouth cooling that lingers with some bitter notes in background. Cooling lasts with breath in for 30 minutes.
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavor enhancers, flavoring agents
Recommendation for (2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 7800 (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: 25. Update in publication number(s): 28
Click here to view publication 25
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 10.0000050.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 400.00000800.00000
condiments / relishes: --
confectionery froastings: 25.00000100.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 25.00000100.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 25.00000100.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 25.00000100.00000
soups: --
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): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 20.00000100.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 20.00000100.00000
Confectionery (05.0): 70.00000300.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): --
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): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 10.0000050.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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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):
Scientific Opinion on Flavouring Group Evaluation 304 (FGE.304): Five carboxamides from chemical group 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 304, Revision 1 (FGE.304Rev1): Four carboxamides from Chemical Groups 30
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
 (2S,5R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide
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References:
Leffingwell: Chirality or Article
 (2S,5R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide
NIST Chemistry WebBook: Search Inchi
Pubchem (cas): 1119711-29-3
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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
HMDB (The Human Metabolome Database): Search
FDA Listing of Food Additive Status: View
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
isobornyl formateFL/FR
dextro-fenchoneFL/FR
camphoreous
beta-homocyclocitralFL/FR
 fencholFL/FR
laevo-fenchoneFL/FR
citrus
 ocimene quintoxideFL/FR
earthy
(-)-alpha-fencholFL/FR
ethereal
 cyclohexyl formateFL/FR
floral
isobutyl salicylateFL/FR
 dihydrocarvyl acetateFL/FR
fruity
 cyclohexyl acetateFL/FR
 pineapple pentenoateFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
green
 manzanate (Givaudan)FL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
1,8-cineoleFL/FR
1,4-cineoleFL/FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
 jambu oleoresinFL/FR
spike lavender oilFL/FR
 myrtenolFL/FR
 sabinene hydrateFL/FR
 theaspiraneFL/FR
medicinal
meta-dimethyl hydroquinoneFL/FR
mentholic
 cornmint oil chinaFL/FR
 cornmint oil terpenelessFL/FR
dextro-neomentholFL/FR
laevo-mentholFL/FR
dextro,laevo-mentholFL/FR
(±)-mentholFL/FR
(±)-isomenthoneFL/FR
 menthyl acetateFL/FR
laevo-menthyl acetateFL/FR
 peppermint cyclohexanoneFL/FR
minty
 betula lenta bark oil americaFL/FR
 cornmint oil japanFL/FR
(±)-menthoneFL/FR
(-)-menthoneFL/FR
homomenthyl acetateFL/FR
laevo-menthyl lactateFL/FR
 pennyroyal oil fractionsFL/FR
 peppermint absoluteFL/FR
 peppermint oil americaFL/FR
 peppermint oil idahoFL/FR
isopulegolFL/FR
 spearmint oil americaFL/FR
 WS-23FL/FR
naphthyl
para-methyl anisoleFL/FR
dextro,laevo-menthone glycerine acetalFL/FR
spicy
4-carvomenthenolFL/FR
 myrtenalFL/FR
sulfurous
 mango thiolFL/FR
woody
 campheneFL/FR
(+)-campheneFL/FR
 
For Flavor
 
No flavor group found for these
(+)-campheneFL/FR
camphoreous
 campheneFL/FR
 fencholFL/FR
(-)-alpha-fencholFL/FR
laevo-fenchoneFL/FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
chemical
meta-dimethyl hydroquinoneFL/FR
cooling
isobutyl salicylateFL/FR
4-carvomenthenolFL/FR
1,4-cineoleFL/FR
beta-homocyclocitralFL/FR
1,3-dihydroxyacetone (dimer)FL
dextro-fenchoneFL/FR
1-(2-hydroxy-4-methyl cyclohexyl) ethanoneFL
 jambu oleoresinFL/FR
spike lavender oilFL/FR
 manzanate (Givaudan)FL/FR
dextro,laevo-mentholFL/FR
isomentholFL
laevo-mentholFL/FR
laevo-menthone 1,2-glycerol ketalFL
dextro,laevo-menthone glycerine acetalFL/FR
homomenthyl acetateFL/FR
 menthyl acetateFL/FR
laevo-menthyl lactateFL/FR
monomenthyl succinateFL
2-(4-methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamideFL
 peppermint oil americaFL/FR
N-(2-(pyridin-2-yl)ethyl)-3-para-menthane carboxamideFL
 sabinene hydrateFL/FR
 theaspiraneFL/FR
 WS-12FL
 WS-3FL
 WS-5FL
earthy
 panax quinquefolius root extractFL
floral
 dihydrocarvyl acetateFL/FR
fruity
 pineapple pentenoateFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
green
 cyclohexyl formateFL/FR
 ocimene quintoxideFL/FR
isophoroneFL
3,5,5-trimethyl hexanolFL/FR
herbal
 hyssop oilFL/FR
mentholic
 cornmint oil terpenelessFL/FR
(±)-mentholFL/FR
dextro-neomentholFL/FR
 peppermint cyclohexanoneFL/FR
minty
 betula lenta bark oil americaFL/FR
1,8-cineoleFL/FR
 cornmint oil chinaFL/FR
 cornmint oil japanFL/FR
 limonene glycolFL
(-)-menthoneFL/FR
(±)-menthoneFL/FR
(±)-isomenthoneFL/FR
laevo-menthyl acetateFL/FR
 myrtenalFL/FR
 myrtenolFL/FR
 pennyroyal oil fractionsFL/FR
 peppermint absoluteFL/FR
 peppermint oil idahoFL/FR
isopulegolFL/FR
 spearmint oil americaFL/FR
 WS-23FL/FR
naphthyl
para-methyl anisoleFL/FR
solvent
 cyclohexyl acetateFL/FR
sulfurous
 mango thiolFL/FR
woody
isobornyl formateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(2S,5R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide
(2S,5R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide
(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamiide
4-[[[(2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]amino]-benzeneacetamide
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