Ethyl cyclohexanecarboxylate (CAS 3289-28-9) — Sweet Top to middle Note Fragrance Ingredient
Ethyl cyclohexanecarboxylate
CAS 3289-28-9
What Is Ethyl cyclohexanecarboxylate?
Ethyl cyclohexanecarboxylate is a synthetic fragrance ingredient commonly found in perfumes, soaps, and air fresheners. It contributes a fruity, slightly floral aroma with woody undertones. This ester is valued for its ability to add a crisp, clean quality to fragrances while enhancing other ingredients.
Safety Profile
GENERALLY SAFEWhat Does Ethyl cyclohexanecarboxylate Smell Like?
Ethyl cyclohexanecarboxylate opens with a bright, fruity burst reminiscent of green apples and pear drops, with a subtle floral nuance like lily-of-the-valley. As it evolves, the heart reveals a crisp, woody character with hints of fresh-cut cedar and a faint balsamic sweetness. The dry-down is clean and slightly musky, leaving a soft, powdery trail that blends seamlessly with other ingredients. Its moderate tenacity makes it versatile for both top and middle notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the sparkling citrus top notes with its fruity-floral character, adding depth to the fresh accord while maintaining transparency.
Provides a crisp, modern edge to the floral bouquet, helping bridge the fruity top notes to the warmer woody base.
2D Molecular Structure
SMILES: CCOC(=O)C1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl cyclohexanecarboxylate is a simple ester formed from cyclohexanecarboxylic acid and ethanol. It’s produced through acid-catalyzed esterification, typically using sulfuric acid as a catalyst. The molecule features a cyclohexane ring which contributes to its woody character, while the ester group provides volatility and fruity notes. Being a synthetic material, it doesn’t occur naturally but mimics aspects of fruity esters found in nature.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | 198-200 °C |
| Density | 0.96 g/cm³ |
| Refractive Index | 1.438-1.442 |
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds fruity freshness |
| Soap | 0.5-2% | Up to 3% | Boosts clean notes |
Classic Accords
Tip: Use to add lift to heavy floral compositions without introducing excessive sweetness.
Alternatives & Comparisons
More intensely fruity with apple-like character, useful when stronger top note impact is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
Considered safe for current fragrance use levels by RIFM.
Sustainability
As a synthetic material, Ethyl cyclohexanecarboxylate has consistent quality and doesn’t rely on agricultural production. Its synthesis from petrochemical feedstocks raises some environmental considerations, but it’s produced efficiently at scale with minimal waste.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439856333
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7062958
Physical Properties
| Molecular Weight | 156.225 g/mol🔬 EPA CompTox |
| Density | 0.972 g/cm^3🔬 EPA CTX |
| Boiling Point | 196 °C🔬 EPA CTX |
| Melting Point | -21.653 °C📊 OPERA |
| Flash Point | 68.575 °C🔬 EPA CTX |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 160.573 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.83 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.83 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.83 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.82 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.576 mmHg📊 OPERA |
| Viscosity | 1.536 cP📊 OPERA |
| Surface Tension | 32.13 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.256 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 43.254 cm^3/mol📊 OPERA |
| Polarizability | 17.147 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.
