Glycine, N-[[5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-, ethyl ester (CAS 39668-74-1) — Woody Middle Note Fragrance Ingredient
Glycine, N-_[[5-_methyl-_2-_(1-_methylethyl)_cyclohexyl]_carbonyl]_-_, ethyl ester
CAS 39668-74-1
What Is Glycine, N-_[[5-_methyl-_2-_(1-_methylethyl)_cyclohexyl]_carbonyl]_-_, ethyl ester?
This synthetic fragrance ingredient is a complex ester used in modern perfumery to create fresh, woody, and slightly musky effects. Consumers might encounter it in high-end colognes and body care products where it contributes to sophisticated scent profiles. The molecule’s balanced character makes it valuable for perfumers seeking to bridge fresh top notes with deeper base tones without overwhelming the composition.
Safety Profile
GENERALLY SAFEWhat Does Glycine, N-_[[5-_methyl-_2-_(1-_methylethyl)_cyclohexyl]_carbonyl]_-_, ethyl ester Smell Like?
This ester unfolds with a crisp, almost metallic freshness that quickly softens into a smooth woody-amber character. Imagine the first bite of a green apple meeting aged oak barrels – initially bright, then deepening into warm, rounded tones. The dry-down reveals subtle musky undertones that linger like distant incense, providing excellent tenacity without heaviness. Its evolution makes it particularly useful for creating transparent yet persistent fragrance layers.
2D Molecular Structure
SMILES: CCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
As a synthetic ester derivative of menthol, this compound belongs to the cyclohexyl carbonyl family. The structure features a branched isopropyl group that contributes to its stereochemical complexity. Industrial synthesis typically involves esterification of menthol-derived carboxylic acids with ethyl glycinate under controlled conditions. The resulting molecule exhibits chirality that significantly impacts its odor profile, with different enantiomers displaying varying intensity and character.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds woody-musky depth |
| Body Care | 0.5-1.5% | Up to 2% | Provides subtle longevity |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody bases to prevent harsh transitions.
Alternatives & Comparisons
Offers similar fresh-woody effects with more floral character and established safety profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No RIFM assessment publicly available as of current data.
Sustainability
Being a fully synthetic material, production avoids agricultural impacts but depends on petrochemical feedstocks. The multi-step synthesis requires energy-intensive processes, though modern manufacturers increasingly implement green chemistry principles to reduce environmental footprint. Future sustainability improvements could involve bio-based precursors or catalytic methods.
Explore Glycine, N-_[[5-_methyl-_2-_(1-_methylethyl)_cyclohexyl]_carbonyl]_-_, ethyl ester
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 39668-74-1Physical Properties
| Molecular Weight | 269.38 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 275 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 190.2 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.929💻 Calculated |
| SMILES | CCOC(=O)CNC(=O)C1CC(CCC1C(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 11.2 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esterether💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID20960278
Physical Properties
| Molecular Weight | 269.385 g/mol🔬 EPA CompTox |
| Density | 1.009 g/cm^3📊 OPERA |
| Boiling Point | 331.281 °C📊 OPERA |
| Melting Point | 83.614 °C📊 OPERA |
| Flash Point | 200.809 °C📊 OPERA |
| Refractive Index | 1.462 Dimensionless📊 OPERA |
| Molar Volume | 271.624 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.579 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.329 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.574 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.55 Log10 unitless📊 OPERA |
| Water Solubility | 0.06 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 74.448 cP📊 OPERA |
| Surface Tension | 33.221 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.6 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 55.4 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 74.717 cm^3/mol📊 OPERA |
| Polarizability | 29.62 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.
