Triethyltrimethyl-2-cyclohexen-1-one (CAS 68845-35-2) — Woody Base Note Fragrance Ingredient
Triethyltrimethyl-2-cyclohexen-1-one
CAS 68845-35-2
What Is Triethyltrimethyl-2-cyclohexen-1-one?
Triethyltrimethyl-2-cyclohexen-1-one is a synthetic fragrance ingredient used in perfumes and personal care products to add woody, earthy notes. It’s often found in colognes and aftershaves. This ingredient helps create depth and longevity in fragrances, making it a valuable tool for perfumers aiming for sophisticated scent profiles.
Safety Profile
GENERALLY SAFEWhat Does Triethyltrimethyl-2-cyclohexen-1-one Smell Like?
Triethyltrimethyl-2-cyclohexen-1-one offers a complex woody aroma with earthy undertones. Its scent evolves from a sharp, green top note to a warm, resinous heart, finishing with a dry, slightly smoky base. The dry-down is reminiscent of aged wood or forest floor, providing a naturalistic depth to fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance woody accords, providing a synthetic yet naturalistic depth.
2D Molecular Structure
SMILES: CCC1=C(C)C(=O)CC(C)(C)C1(CC)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
Triethyltrimethyl-2-cyclohexen-1-one is a synthetic molecule belonging to the cyclohexenone class. It is produced through chemical synthesis, often involving condensation reactions. Its structure allows for stable, long-lasting fragrance notes, making it a popular choice in modern perfumery.
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 depth |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, its production is controlled and scalable, reducing environmental impact compared to some natural alternatives.
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References
- PubChem PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 68845-35-2Physical Properties
| Molecular Weight | 222.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.4🔬 PubChem |
| Boiling Point | 275 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0129 mmHg @ 25°C📊 OPERA |
| Flash Point | 135.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0009💻 Calculated |
| log Kp (skin permeability) | -0.932💻 Calculated |
| SMILES | CCC1=C(C(=O)CC(C1(CC)CC)(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | ketonealkene💻 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: DTXSID90867725
Physical Properties
| Molecular Weight | 222.37 g/mol🔬 PubChem |
| Density | 0.858 g/cm^3📊 OPERA |
| Boiling Point | 280.465 °C📊 OPERA |
| Melting Point | 34.434 °C📊 OPERA |
| Flash Point | 119.067 °C📊 OPERA |
| Refractive Index | 1.442 Dimensionless📊 OPERA |
| Molar Volume | 261.783 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.316 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.316 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.316 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.25 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.008 mmHg📊 OPERA |
| Surface Tension | 28.09 dyn/cm📊 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 69.311 cm^3/mol📊 OPERA |
| Polarizability | 27.477 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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