Name | N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide |
Synonyms | WS-3 FEMA 3455 Menthol Carboxamide Menthane carboxamide TRPM8 antagonist WS-3 Cooling taste agent ws-23 N-ethyl-L-menthylformylamine N-Ethyl-p-menthane-3-carboxamide N-ethyl-PARA-Menthan-3-carboxamide N-Ethyl-PARA-Menthan-3-Carboxamide N,2,3-trimethyl-2isopropl butanamide N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide (1S,2R,5R)-N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide (1S,2R,5S)-N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide (1R,2R,5R)-N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide (1R,2R,5S)-N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide |
CAS | 39711-79-0 |
EINECS | 254-599-0 |
InChI | InChI=1/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t10-,11+,12+/m0/s1 |
InChIKey | VUNOFAIHSALQQH-UHFFFAOYSA-N |
Molecular Formula | C13H25NO |
Molar Mass | 211.34 |
Density | 0.9305 (rough estimate) |
Melting Point | 87-102 °C |
Boling Point | 351.04°C (rough estimate) |
Specific Rotation(α) | D -49 to -54° |
Flash Point | 205.74°C |
JECFA Number | 1601 |
Water Solubility | insoluble |
Vapor Presure | 0.007Pa at 25℃ |
Appearance | powder to crystal |
Color | White to Almost white |
Merck | 14,3825 |
pKa | 16.27±0.60(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.4410 (estimate) |
Risk Codes | R36 - Irritating to the eyes R41 - Risk of serious damage to eyes R22 - Harmful if swallowed |
Safety Description | S39 - Wear eye / face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 2 |
HS Code | 29242990 |
Toxicity | LD50 in mice, rats (g/kg): 5.3, 2.9 orally (Parrish) |
FEMA | 3455 | N-ETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDE |
LogP | 2.902 at 25℃ |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Biological activity | Cyclohexanecarboxamide (Ethyl menthane carboxamide, WS3, Hexahydrobenzamide) is a refrigerant and a TRPM8 receptor agonist, EC50 is 3.7 μM. |
Target | Value |
TRPM8 () | 3.7 μM(EC50) |
use | can be used for blending mint and spice essence. |