Cyclohexanone diethyl ketal (CAS 1670-47-9) — Green Top Note Fragrance Ingredient
Cyclohexanone diethyl ketal
CAS 1670-47-9
What Is Cyclohexanone diethyl ketal?
Cyclohexanone diethyl ketal is a synthetic fragrance ingredient primarily used in modern perfumery. It’s found in various consumer products like air fresheners and cleaning agents. This compound contributes fresh, ethereal qualities to fragrances, often enhancing citrus or green accords without being perceptible as a standalone scent.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexanone diethyl ketal Smell Like?
Cyclohexanone diethyl ketal presents a subtle, clean aroma with faint citrus undertones and a crisp, almost ozonic quality. It evolves on the skin like morning dew evaporating from grass – initially bright and transparent, then fading into a barely-there freshness. The dry-down leaves a whisper of greenness, reminiscent of crushed stems without the vegetal density.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fresh top note enhancer, contributing to the fragrance’s energizing green-citrus character without overpowering the natural botanical extracts.
Provides subtle lift to the citrus top notes while maintaining the fragrance’s clean, transparent quality that defines this modern classic.
2D Molecular Structure
SMILES: CCOC1(CCCCC1)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexanone diethyl ketal belongs to the ketal class of organic compounds, formed through the reaction of cyclohexanone with ethanol in acidic conditions. This synthetic molecule features a protected carbonyl group, which contributes to its stability in formulations. While not found in nature, its structural relatives appear in various plant-derived aroma chemicals.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | Not established |
| Density | ~0.9 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Freshness enhancer |
| Functional Products | 0.1-1% | Up to 3% | Clean scent modifier |
Classic Accords
Tip: Use as a transparent bridge between citrus top notes and green heart notes.
Alternatives & Comparisons
Offers similar freshness with more pronounced green character, suitable when needing stronger impact.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA
RIFM Assessment
Limited assessment available, considered safe at current usage levels.
Sustainability
As a synthetic material, production can be controlled with minimal environmental impact. No natural resources are required, making it a sustainable choice compared to some plant-derived alternatives.
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References
- Bauer et al. (2001). Synthetic Fragrance Materials. Perfumer & Flavorist.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1670-47-9Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 210 °C🔬 EPA CompTox |
| Vapor Pressure | 0.3388 mmHg @ 25°C📊 OPERA |
| Flash Point | 60.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0278💻 Calculated |
| log Kp (skin permeability) | -2.047💻 Calculated |
| SMILES | CCOC1(CCCCC1)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | alcoholicetherealfruityherbalrum• leffingwell |
| Functional Groups | ether💻 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: DTXSID6061868
Physical Properties
| Molecular Weight | 172.268 g/mol🔬 EPA CompTox |
| Density | 0.919 g/cm^3📊 OPERA |
| Boiling Point | 202.909 °C📊 OPERA |
| Melting Point | 11.08 °C📊 OPERA |
| Flash Point | 62.922 °C📊 OPERA |
| Refractive Index | 1.442 Dimensionless📊 OPERA |
| Molar Volume | 188.244 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.873 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.873 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.873 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.18 Log10 unitless📊 OPERA |
| Water Solubility | 0.024 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.407 mmHg📊 OPERA |
| Viscosity | 2.958 cP📊 OPERA |
| Surface Tension | 28.916 dyn/cm📊 OPERA |
| Thermal Conductivity | 128.173 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.792 cm^3/mol📊 OPERA |
| Polarizability | 19.739 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.
