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cyclopropane carboxylic acid (2-isopropyl-5-methyl cyclohexyl) amide
cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide

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CAS Number: 958660-02-1Picture of molecule3D/inchi
FDA UNII:4G2NYA84QJ
XlogP3-AA:3.50 (est)
Molecular Weight:223.35945000
Formula:C14 H25 N O
NMR Predictor:Predict (works with chrome or firefox)
CAS Number: 958660-04-3Picture of molecule3D/inchi
FDA UNII:1N849XD4QD
XlogP3-AA:3.50 (est)
Molecular Weight:223.35945000
Formula:C14 H25 N O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Two CASrn assigned 958660-02-1 (1S,2S,5R) and 958660-04-3 (1R,2R,5S). Min assay is sum of isomers: Two main isomers and four other stereoisomers. Composition of mixture to be specified.
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
JECFA Food Flavoring:2006 cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide

2006 cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide
DG SANTE Food Flavourings:16.115 cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide
FEMA Number:4558 cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide
4558 cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977188-03-6 ; CYCLOPROPANECARBOXYLIC ACID (2-ISOPROPYL-5-METHYL-CYCLOHEXYL)-AMIDE
 
Physical Properties:
Appearance:white powder (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 166.00 °C. @ 760.00 mm Hg
Soluble in:
 water, 10.14 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: savory
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
savory brothy umami
Odor Description:at 0.10 % in propylene glycol. mild savory brothy umami
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
cyclopropane carboxylic acid (2-isopropyl-5-methyl cyclohexyl) amide
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:
gavage-rat LD50 [sex: F] > 2000 mg/kg
(Vaeth, 2007)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor enhancers
Recommendation for cyclopropane carboxylic acid (2-isopropyl-5-methyl cyclohexyl) amide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 960 (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: 24. Update in publication number(s): 26
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.200001.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: 2.000006.00000
chewing gum: 10.0000050.00000
condiments / relishes: 4.0000010.00000
confectionery froastings: 1.0000020.00000
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: --
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: --
seasonings / flavors: 10.0000020.00000
snack foods: 8.0000020.00000
soft candy: --
soups: 4.0000010.00000
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): 2.000006.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.000008.00000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 2.000008.00000
Confectionery (05.0): --
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): 2.000008.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.000008.00000
Eggs and egg products (10.0): 4.0000010.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 10.0000020.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.70000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 8.0000020.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 300 (FGE.300): One cyclo-aliphatic amide from chemical group 33
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 300, Revision 1 (FGE.300Rev1): One cyclo-aliphatic amide from chemical group 33
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :58004815
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
Chemidplus:0958660021
N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
Chemidplus:0958660043
 
References:
 N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):58004815
Pubchem (sid):163643017
 N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):59847877
Pubchem (sid):163643018
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FAO:Cyclopropanecarboxylic acid (2-isopropyl-5-methyl-cyclohexyl)-amide
 
Potential Blenders and core components note
For Odor
meaty
meaty dithiane
FL/FR
For Flavor
meaty
meaty dithiane
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cyclopropanecarboxylic acid (1R,2R,5S)-(2-isopropyl-5-ethylcyclohexyl)-amide
 cyclopropanecarboxylic acid (1S,2S,5R)-(2-isopropyl-5-ethylcyclohexyl)-amide
 cyclopropanecarboxylic acid (2-isopropyl-5-methylcyclohexyl)-amide
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
N-(2-isopropyl-5-methylcyclohexyl)cyclopropanecarboxamide
 

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Notes:
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