[2-(Cyclohexyloxy)ethyl]benzene (CAS 80858-47-5) — Woody Middle to base Note Fragrance Ingredient
[2-(Cyclohexyloxy)ethyl]benzene
CAS 80858-47-5
What Is [2-(Cyclohexyloxy)ethyl]benzene?
[2-(Cyclohexyloxy)ethyl]benzene is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances, contributing to complex scent profiles. This molecule matters because it offers perfumers a stable, long-lasting aromatic effect that blends well with both floral and woody compositions, helping create distinctive modern accords.
Safety Profile
GENERALLY SAFEWhat Does [2-(Cyclohexyloxy)ethyl]benzene Smell Like?
This synthetic molecule presents a clean, slightly sweet aromatic character with subtle woody undertones. The initial impression is reminiscent of fresh laundry with a hint of floralcy, evolving into a more pronounced woody-amber dry-down. It behaves like a chameleon – bright and airy in top notes, yet provides tenacity in base accords. The dry-down reveals a faintly powdery texture similar to orris root, but with better diffusion.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create an ultra-modern green floral effect, providing a crisp aromatic backdrop that enhances the galbanum and lily-of-the-valley notes without overpowering them.
Employed in small quantities to add subtle woody complexity to the birch and patchouli base, helping bridge the fruity top to smoky base transition.
2D Molecular Structure
SMILES: C(CC1=CC=CC=C1)OC1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
[2-(Cyclohexyloxy)ethyl]benzene belongs to the phenyl ether class of compounds. It’s synthesized through Williamson ether synthesis, reacting cyclohexanol with a phenethyl halide under basic conditions. The cyclohexyl group provides conformational flexibility while the phenyl ring contributes aromatic character. This combination creates a molecule with both volatility for top notes and sufficient molecular weight for persistence.
Physical & Chemical Properties
| Appearance | Clear liquid |
|---|---|
| Boiling Point | Estimated 250-280°C |
| Density | ~0.95-1.05 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as woody-modifier |
| Personal Care | 0.5-1% | Up to 2% | Adds subtle sophistication |
Classic Accords
Tip: Use at 0.5-1% in fresh fougères to add depth without heaviness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Not yet evaluated by RIFM.
Sustainability
As a synthetic material, production avoids agricultural impacts but requires petrochemical feedstocks. The synthesis route is relatively efficient with minimal hazardous byproducts. Being used in small quantities, its environmental load is low compared to natural extracts requiring large cultivation areas.
Explore [2-(Cyclohexyloxy)ethyl]benzene
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 80858-47-5Physical Properties
| Molecular Weight | 204.31 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 283.8 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0041 mmHg @ 25°C📊 OPERA |
| Flash Point | 94.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0003💻 Calculated |
| log Kp (skin permeability) | -1.248💻 Calculated |
| SMILES | C1CCC(CC1)OCCC2=CC=CC=C2🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | sweetwoody• leffingwell |
| Functional Groups | etheraromatic💻 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: DTXSID4072869
Physical Properties
| Molecular Weight | 204.313 g/mol🔬 EPA CompTox |
| Density | 0.97 g/cm^3🔬 EPA CTX |
| Boiling Point | 283.8 °C🔬 EPA CTX |
| Melting Point | 31.544 °C📊 OPERA |
| Flash Point | 94.5 °C🔬 EPA CTX |
| Refractive Index | 1.518 Dimensionless📊 OPERA |
| Molar Volume | 209.608 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.9 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.49 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.49 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.57 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg🔬 EPA CTX |
| Viscosity | 7.157 cP📊 OPERA |
| Surface Tension | 37.078 dyn/cm📊 OPERA |
| Thermal Conductivity | 134.451 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 63.472 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.
