N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide (CAS 39711-79-0) — Citrus Functional Note Fragrance Ingredient
N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide
CAS 39711-79-0
What Is N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide?
N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide is a synthetic cooling agent commonly found in personal care products like lip balms and muscle rubs. It creates a refreshing, tingling sensation without actual temperature change. This ingredient matters because it enhances product efficacy by providing instant cooling relief, making it popular in therapeutic and cosmetic formulations.
Safety Profile
USE WITH AWARENESSWhat Does N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide Smell Like?
This molecule is odorless but delivers a pronounced cooling effect reminiscent of menthol without the minty aroma. The sensation builds gradually, peaking within minutes, and lingers with a clean, neutral finish. Ideal for formulations where scent neutrality is desired while maintaining a refreshing profile.
2D Molecular Structure
SMILES: CCNC(=O)C1CC(C)CCC1C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide is a carboxamide derivative designed to activate TRPM8 receptors, mimicking the cooling effect of menthol. Its synthetic origin allows for precise control over potency and stability. The molecule’s structure is optimized for prolonged activity without the volatility associated with traditional cooling agents.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohols and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Lip Care | 0.5-2% | Up to 5% | Provides cooling without flavor interference |
| Topical Pain Relief | 1-3% | Up to 10% | Enhances therapeutic perception |
Classic Accords
Tip: Combine with emollients to mitigate potential skin sensitivity.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply.
RIFM Assessment
RIFM has assessed similar cooling agents as safe for topical use at recommended levels.
Sustainability
Synthetic production ensures consistent quality and reduces reliance on natural resources. The manufacturing process is optimized for minimal environmental impact.
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Physicochemical Properties
DTXSID: DTXSID5047039
Physical Properties
| Molecular Weight | 211.349 g/mol🔬 EPA CompTox |
| Density | 0.615 g/cm^3🔬 EPA CTX |
| Boiling Point | 302.264 °C📊 OPERA |
| Melting Point | 88.944 °C🔬 EPA CTX |
| Flash Point | 200 °C🔬 EPA CTX |
| Refractive Index | 1.454 Dimensionless📊 OPERA |
| Molar Volume | 235.128 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.902 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.068 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.728 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.15 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 44.333 cP📊 OPERA |
| Surface Tension | 29.173 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.273 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.1 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 63.676 cm^3/mol📊 OPERA |
| Polarizability | 25.243 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
