5-Methyl-2-(1-methylethyl)cyclohexyl lactate (CAS 17162-29-7) — Woody Base Note Fragrance Ingredient
5-Methyl-2-(1-methylethyl)cyclohexyl lactate
CAS 17162-29-7
What Is 5-Methyl-2-(1-methylethyl)cyclohexyl lactate?
5-Methyl-2-(1-methylethyl)cyclohexyl lactate is a synthetic fragrance ingredient used in perfumes and scented products. It contributes a unique woody-floral character. This molecule matters because it offers perfumers a stable, long-lasting alternative to natural materials, allowing for consistent scent profiles in everything from fine fragrances to household cleaners.
Safety Profile
GENERALLY SAFEWhat Does 5-Methyl-2-(1-methylethyl)cyclohexyl lactate Smell Like?
This synthetic lactone delivers a complex woody-musky aroma with subtle floral undertones. Initially presents with a crisp, slightly green top note reminiscent of crushed leaves, evolving into a creamy lactonic heart that recalls coconut milk warmed in cedarwood. The dry-down reveals a persistent skin-like muskiness with whispers of ambergris, making it particularly valuable for base note compositions. Its tenacity allows it to anchor brighter top notes while adding depth.
2D Molecular Structure
SMILES: CC(C)C1CCC(C)CC1OC(=O)C(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
5-Methyl-2-(1-methylethyl)cyclohexyl lactate belongs to the class of cyclic terpene lactates. While not found in nature, its structure mimics naturally occurring lactones found in various plant resins. Synthesized through esterification of menthol-derived alcohols with lactic acid, this chiral compound exists as stereoisomers that may exhibit different olfactory properties. The isopropyl group at the 2-position contributes to its distinctive woody character.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Molecular Weight | Estimated ~200 g/mol |
| Solubility | Likely soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Base note fixative |
| Functional Fragrances | 0.1-1% | Up to 3% | Long-lasting woody note |
| Cosmetics | 0.2-1.5% | Up to 2% | Skin-scent enhancer |
Classic Accords
Tip: Use with citrus top notes to create contrast and longevity.
Alternatives & Comparisons
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 for this specific compound.
Sustainability
As a synthetic material, this ingredient avoids natural resource depletion but requires energy-intensive chemical synthesis. Its persistence in the environment should be considered, though current data suggests moderate biodegradability. The lack of agricultural inputs makes it potentially more sustainable than some natural alternatives when considering land use.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID00864740
Physical Properties
| Molecular Weight | 228.332 g/mol🔬 EPA CompTox |
| Density | 0.974 g/cm^3📊 OPERA |
| Boiling Point | 287.114 °C📊 OPERA |
| Melting Point | 27.347 °C📊 OPERA |
| Flash Point | 117.991 °C📊 OPERA |
| Refractive Index | 1.468 Dimensionless📊 OPERA |
| Molar Volume | 228.423 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.444 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.444 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.389 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.49 Log10 unitless📊 OPERA |
| Water Solubility | 0.013 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 22.374 cP📊 OPERA |
| Surface Tension | 32.765 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.572 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 46.53 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 63.471 cm^3/mol📊 OPERA |
| Polarizability | 25.162 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.
