Cyclohexanone (CAS 108-94-1) — Woody Not applicable Note Fragrance Ingredient
Cyclohexanone
CAS 108-94-1
What Is Cyclohexanone?
Cyclohexanone is a synthetic solvent with a distinct odor, commonly encountered in industrial settings and some consumer products like paint removers. Its chemical properties make it useful for manufacturing nylon and other materials. While not typically found in perfumery, its presence in manufacturing processes impacts fragrance production.
Safety Profile
PROFESSIONAL USEWhat Does Cyclohexanone Smell Like?
Cyclohexanone has a sharp, peppery odor with chemical undertones. Its scent is often described as harsh and industrial, lacking the nuance of traditional fragrance ingredients. The odor persists with little evolution, maintaining its acrid character throughout. Not commonly used in perfumery due to its unpleasant profile.
2D Molecular Structure
SMILES: O=C1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexanone is a cyclic ketone with the formula (CH2)5CO. It is produced via the oxidation of cyclohexane or the dehydrogenation of cyclohexanol. Industrially significant as a precursor to nylon, it has limited use in fragrance due to its harsh odor profile. The molecule’s ring structure contributes to its stability and volatility.
Physical & Chemical Properties
| Boiling Point | 155-156 °C |
|---|---|
| Density | 0.947 g/cm³ |
| Flash Point | 44 °C |
| Vapor Pressure | 4.7 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | Not used | N/A | Primarily a chemical intermediate |
Classic Accords
Tip: Avoid in fine fragrance due to harsh odor.
Alternatives & Comparisons
Less harsh odor profile, sometimes used as a solvent in fragrance applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA but not recommended for fragrance use.
GHS Classification
RIFM Assessment
Not evaluated by RIFM for fragrance use.
Sustainability
Cyclohexanone is petroleum-derived, with significant environmental impact from production. Industrial recycling efforts exist but are limited. Not considered sustainable for fragrance applications.
Explore Cyclohexanone
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References
- PubChem Compound Summary for Cyclohexanone CID 7967
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6020359
Physical Properties
| Molecular Weight | 98.145 g/mol🔬 EPA CompTox |
| Density | 0.947 g/cm^3🔬 EPA CTX |
| Boiling Point | 155.329 °C🔬 EPA CTX |
| Melting Point | -32.418 °C🔬 EPA CTX |
| Flash Point | 45.417 °C🔬 EPA CTX |
| Refractive Index | 1.453 Dimensionless📊 OPERA |
| Molar Volume | 102.952 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.812 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.857 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.857 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.49 Log10 unitless📊 OPERA |
| Water Solubility | 0.336 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 4.69 mmHg🔬 EPA CTX |
| Viscosity | 1.282 cP📊 OPERA |
| Surface Tension | 32.316 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.797 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 | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 27.801 cm^3/mol📊 OPERA |
| Polarizability | 11.021 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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