N-Ethyl-p-menthane-3-carboxamide
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N-Ethyl-p-menthane-3-carboxamide
structure -
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CAS No:
39711-79-0
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Formula:
C13H25NO
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Chemical Name:
N-Ethyl-p-menthane-3-carboxamide
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Synonyms:
Cyclohexanecarboxamide,N-ethyl-5-methyl-2-(1-methylethyl)-;N-Ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide;N-Ethyl-p-menthane-3-carboxamide;WS 3 (amide);WS 3;Ethyl menthane carboxamide;Cooling Sensate WS 3;FEMA 3455;N-Ethyl-p-menthanecarboxamide
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CAS No:
Description
WS-3 is an agonist of TRPM8 with an EC50 of 3.7 μM.
Solid|White solid; Slight menthol like cooling effect
Ethyl menthane carboxamide is a p-menthane monoterpenoid.
N-Ethyl-p-menthane-3-carboxamide Basic Attributes
211.34
211.34
254-599-0
6S7S02945H
DTXSID5047039
2924299090
Characteristics
29.1
3.5
Solid
0.9±0.1 g/cm3
88 °C
340.5°C at 760 mmHg
205.7±3.7 °C
1.454
H2O: insoluble
Store at RT
LD50 in mice, rats (g/kg): 5.3, 2.9 orally (Parrish)
D -49 to -54°
Safety Information
NONH for all modes of transport
2
36-41-22
39-26
Xi,Xn
P280-P305 + P351 + P338
H302-H318
Not Classified
N-Ethyl-p-menthane-3-carboxamide Use and Manufacturing
Physiological coolant in foods, beverages, toiletries, cosmetics and pharmaceuticals.
Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Tonic
Flavoring Agents
Computed Properties
Molecular Weight:211.34
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:211.193614421
Monoisotopic Mass:211.193614421
Topological Polar Surface Area:29.1
Heavy Atom Count:15
Complexity:213
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-Ethyl-p-menthane-3-carboxamide
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