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WS-3

Chemical Structure

General Material Information

Preferred name WS-3
Trivial Name N-Ethyl-p-menthane-3-carboxamide
Short Description N-ethyl 2-isopropyl-5-methylcyclohexanecarboxamide
Formula C13 H25 N O
CAS Number 39711-79-0
FEMA Number 3455
Flavis Number 16.013
ECHA Number 254-599-0
FDA UNII 6S7S02945H
Nikkaji Number J261.435I
MDL MFCD00130071
COE Number 2298
xLogP3-AA 3.50 (est)
NMR Predictor External link
JECFA Food Flavoring 1601 N-ethyl 2-isopropyl-5-methylcyclohexanecarboxamide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 39711-79-0 ; N-ETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDE
Synonyms
  • cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
  • N- ethyl 2-isopropyl-5-methylcyclohexanecarboxamide
  • N- ethyl 5-methyl-2-iso-propylcyclohexanecarboxamide
  • ethyl menthane carboxamide
  • N- ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide
  • N- ethyl-2-isopropyl-5-methyl cyclohexane carboxamide
  • N- ethyl-2-isopropyl-5-methylcyclohexane carboxamide
  • N- ethyl-2-isopropyl-5-methylcyclohexanecarboxamide
  • N- ethyl-4-menthane-3-carboxamide
  • N- ethyl-5-methyl-2-(1-methyl ethyl) cyclohexane carboxamide
  • N- ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide
  • N- ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
  • N- ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
  • N- ethyl-L-menthylformylamine
  • N- ethyl-p-menthane-3-carboxamide
  • N- ethyl-p-methane-3-carboxamide
  • N- ethyl-para-menthane-3-carboxamide
  • N- ethyl[5-methyl-2-(methylethyl)cyclohexyl]carboxamide
  • ethylmenthanecarboxamide
  • framidice 3
  • koolada-3 synthetic (Advanced Biotech)
  • menthol carboxamide
  • methyl cyclohexane carboxamide
  • 2-iso propyl-5-methyl-cyclohexanecarboxylic acid ethylamide
  • rightcool WS-3
  • winsense extra 500
  • WS3
  • N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
  • N-Ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide
  • N-Ethyl-p-menthane-3-carboxamide
  • WS 3 (amide)
  • WS 3
  • Cooling Sensate WS 3
  • FEMA 3455
  • N-Ethyl-p-menthanecarboxamide
  • N-Ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
  • Fema Gras 3455
  • N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

Leffingwell:Chirality or Article
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:39711-79-0
Pubchem (cid):62907
Pubchem (sid):135020214
Publications by Info
aliphatic and aromatic amines and amides
Publications by PubMed
Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.

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):HMDB37834
FooDB:FDB016984
Export Tariff Code:2924.29.9500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 211.34844970703
Melting Point 91 to 93°C @ 760 mm Hg
Vapor Pressure 8.5E-5 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.717 est
Solubility
alcohol Yes
water, 21.38 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Minty
mentholic, minty, alcoholic, cooling
Odor strength low
Luebke, William tgsc, (2009) At 25.00 % in dipropylene glycol. mild mentholic minty
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 10.00 %. Virtually odorless being slightly alcoholic and cooling
Flavor Type: Cooling
mentholic, cooling, minty, eucalyptus, camphoreous
Luebke, William tgsc, (2009) Mentholic cooling minty eucalyptus camphoreous
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 10.00 - 100.00 ppm. Intense lingering cooling trigeminal effect. The cooling sensation slowly but steadily grows to a lingering cooling mouth feel with a slightly camphoraceous and minty character
General comment INTENSE LINGERING COOLING EFFECT

Potential Uses

Applications
Flavoring purposes Beverage, Mint, Spice, Tonic
Other purposes Oral care agents
Cosmetic purposes Tonic

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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 WS-3 usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 127.00 (μg/capita/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: 9. Update in publication number(s): 18, 25
Click here to view publication 9
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 10.0000010.00000
beverages(alcoholic): 10.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: 1400.000002000.00000
condiments / relishes: --
confectionery froastings: 10.0000010.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 10.0000010.00000
fruit ices: 10.0000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 100.00000150.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 10.0000010.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 66.00000100.00000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

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):

Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):39711-79-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62907
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Chemidplus:0039711790