Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
Basic information
- CAS
39711-79-0- Standard SMILES
CCNC(=O)C1CC(C)CCC1C(C)C- InChIKey
VUNOFAIHSALQQH-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Overview
Ethyl menthane carboxamide is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
- IUPAC
- N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
- English name
- N-Ethyl-p-menthane-3-carboxamide
- Molecular formula
- C13H25NO
- Molecular weight
- 211.34
Names & synonyms
39711-79-0N-Ethyl-p-menthane-3-carboxamideN-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamideEthyl menthane carboxamideCyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-N-Ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamideDTXSID5047039N-Ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamideEINECS 254-599-06S7S02945HN-ethyl-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamideUNII-6S7S02945H
Show more names
WS-3Menthol CarboxamideN-ETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDEFEMA 3455Cooling Agent WS-3N-ETHYL-4-MENTHANE-3-CARBOXAMIDEN,2,3-trimethyl-2isopropl butanamideCooling taste agent ws-23
DTXCID3027039ETHYL MENTHANE CARBOXAMIDE [MI]N-Ethyl-5-methyl-2-(1-methylethyl)-cyclohexane-carboxamideETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDE [FHFI]ethyl-2-isopropyl-5-methylcyclohexane carboxamideRefChem:129562ETHYL MENTHANE CARBOXAMIDE [INCI]TRPM8 agonist WS-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
CosmeticsTonic
FragrancesFragrance Ingredient (N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Melting Point91 - 93 °C
Physical Description
Solid
White solid; Slight menthol like cooling effect
Collision Cross Section152.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5047039]
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Not Classified
Aggregated GHS information provided per 1640 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide (EC: 254-599-0)
Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29242990
- Toxicity
- LD50 in mice, rats (g/kg): 5.3, 2.9 orally (Parrish)
- risk_code
- 36-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Tonic
General Manufacturing InformationCyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-: ACTIVE
Applications
UsesPhysiological coolant in foods, beverages, toiletries, cosmetics and pharmaceuticals.
UsesN-Ethyl-p-menthane-3-carboxamide is a selective transient receptor potential melastatin-8 ligand.
Additional notes
DefinitionChEBI: Ethyl menthane carboxamide is a p-menthane monoterpenoid.
Suppliers
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Related reactions
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Compound notes
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