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3-[3-(2-isopropyl-5-methyl cyclohexyl)ureido]-butyric acid ethyl ester
3-[3-(2-isopropyl-5-methylcyclohexyl)ureido]-butyric acid ethyl ester

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CAS Number: 1160112-20-8Picture of molecule3D/inchi
Molecular Weight:312.45364000
Formula:C17 H32 N2 O3
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Google Patents:Search
US Patents:Search
EU Patents:Search
JECFA Food Flavoring:2203 3-[3-(2-isopropyl-5-methylcyclohexyl)-ureido]-butyric acid ethyl ester
FEMA Number:4766 3-[3-(2-isopropyl-5-methylcyclohexyl)ureido]-butyric acid ethyl ester
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:white powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 460.20 °C. @ 760.00 mm Hg (est)
Flash Point: 450.00 °F. TCC ( 232.10 °C. ) (est)
logP (o/w): 4.050 (est)
Soluble in:
 water, 2.079 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Flavor Type: salty
salty metallic umami
Taste Description: salty metallic umami
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-[3-(2-isopropyl-5-methyl cyclohexyl)ureido]-butyric acid ethyl ester usage levels up to:
 not for fragrance use.
 
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: 26
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.200001.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: 2.000006.00000
chewing gum: --
condiments / relishes: 4.0000010.00000
confectionery froastings: --
egg products: 4.0000010.00000
fats / oils: 2.000008.00000
fish products: 2.000008.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 4.0000010.00000
hard candy: --
imitation dairy: --
instant coffee / tea: 0.200001.70000
jams / jellies: --
meat products: 2.000008.00000
milk products: --
nut products: --
other grains: --
poultry: 2.000008.00000
processed fruits: --
processed vegetables: 2.000008.00000
reconstituted vegetables: 2.000008.00000
seasonings / flavors: 10.0000020.00000
snack foods: 8.0000020.00000
soft candy: --
soups: 4.0000010.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl 3-{[(2-isopropyl-5-methylcyclohexyl)carbamoyl]amino}butanoate
 
References:
 ethyl 3-{[(2-isopropyl-5-methylcyclohexyl)carbamoyl]amino}butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cas):1160112-20-8
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid, 3-[[[[5-methyl-2-(1-methylethyl)cyclohexyl]amino]carbonyl]amino]-, ethyl ester
 ethyl 3-{[(2-isopropyl-5-methylcyclohexyl)carbamoyl]amino}butanoate
3-[[[[5-methyl-2-(1-methylethyl)cyclohexyl]amino]carbonyl]amino]butanoic acid, ethyl ester
3-[3-(2-isopropyl-5-methylcyclohexyl)-ureido]-butyric acid ethyl ester
3-[3-(2-isopropyl-5-methylcyclohexyl)ureido]-butyric acid ethyl ester
 

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