N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide
CAS: 39711-79-0
Molecular Formula: C13H25NO
N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide - Names and Identifiers
| 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 |
N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide - Physico-chemical Properties
| 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) |
N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide - Risk and Safety
| 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) |
N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide - Reference Information
| 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. |
Last Update：2024-04-09 21:54:55
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View History
N-ethyl-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
4-(三氟甲氧基)苯硼酸
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2S,4R)-
Benzo[b]thiophen-3(2H)-one, 2-[amino(4-fluorophenyl)methylene]-, (E)- (9CI)
5-AMINOBENZENE-1,3-DIOL HYDROCHLORIDE
1H-Pyrazole, 1-methyl-3,5-diphenyl-4-propoxy-
Silodosin Impurity 47
Cholest-5-en-3-ol (3β)-, 3-[2-(2-ethoxyethoxy)ethyl carbonate]
4-(4-chlorophenyl)piperidin-2-one
4-羟基-6-溴嘧啶
4-(三氟甲氧基)苯硼酸
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2S,4R)-
Benzo[b]thiophen-3(2H)-one, 2-[amino(4-fluorophenyl)methylene]-, (E)- (9CI)
5-AMINOBENZENE-1,3-DIOL HYDROCHLORIDE
1H-Pyrazole, 1-methyl-3,5-diphenyl-4-propoxy-
Silodosin Impurity 47
Cholest-5-en-3-ol (3β)-, 3-[2-(2-ethoxyethoxy)ethyl carbonate]
4-(4-chlorophenyl)piperidin-2-one
4-羟基-6-溴嘧啶