2-Cyclohexylcyclohexanone (CAS 90-42-6) — Woody Base Note Fragrance Ingredient
2-Cyclohexylcyclohexanone
CAS 90-42-6
What Is 2-Cyclohexylcyclohexanone?
2-Cyclohexylcyclohexanone is a synthetic fragrance ingredient used in perfumery to add woody, musky, and slightly floral nuances. It is commonly found in modern fragrances, particularly those aiming for a clean, sophisticated profile. This molecule matters because it provides a versatile base note that enhances longevity and adds depth to fragrance compositions without being overpowering.
Safety Profile
GENERALLY SAFEWhat Does 2-Cyclohexylcyclohexanone Smell Like?
2-Cyclohexylcyclohexanone opens with a crisp, woody character reminiscent of freshly sanded cedar, subtly warmed by a musky undertone. As it evolves, a faint floral sweetness emerges, akin to the softness of violet petals. The dry-down is smooth and persistent, leaving a clean, slightly powdery trail that blends seamlessly with other base notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a key base note to enhance woody accords and provide longevity without overpowering the composition.
Adds a subtle musky depth to the fragrance, balancing freshness with warmth.
2D Molecular Structure
SMILES: O=C1CCCCC1C1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Cyclohexylcyclohexanone is a synthetic ketone with a bicyclic structure, contributing to its stability and persistence in fragrances. It is typically synthesized via catalytic hydrogenation of aromatic precursors. The molecule’s rigidity and lipophilicity make it an excellent fixative.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody-musky depth |
| Functional Fragrance | 0.5-3% | Up to 5% | Enhances longevity |
Classic Accords
Tip: Use in small amounts to avoid overpowering the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, 2-Cyclohexylcyclohexanone is produced in controlled environments, minimizing environmental impact compared to natural extracts. Its efficient synthesis reduces resource consumption.
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References
- PubChem. 2-Cyclohexylcyclohexanone. PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 90-42-6Physical Properties
| Molecular Weight | 180.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.7🔬 PubChem |
| Boiling Point | 264 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0912 mmHg @ 25°C📊 OPERA |
| Flash Point | 111.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0073💻 Calculated |
| log Kp (skin permeability) | -1.173💻 Calculated |
| SMILES | C1CCC(CC1)C2CCCCC2=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
| Functional Groups | ketone💻 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: DTXSID8047424
Physical Properties
| Molecular Weight | 180.291 g/mol🔬 EPA CompTox |
| Density | 0.976 g/cm^3📊 OPERA |
| Boiling Point | 264 °C🔬 EPA CTX |
| Melting Point | -32 °C🔬 EPA CTX |
| Flash Point | 107.016 °C📊 OPERA |
| Refractive Index | 1.496 Dimensionless📊 OPERA |
| Molar Volume | 183.056 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.335 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.335 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.335 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.038 mmHg📊 OPERA |
| Viscosity | 9.164 cP📊 OPERA |
| Surface Tension | 36.083 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.794 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 53.515 cm^3/mol📊 OPERA |
| Polarizability | 21.215 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.
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