Ethanone, 1-(3-cycloocten-1-yl)- (CAS 32669-00-4) — Woody Middle to Base Note Fragrance Ingredient
Ethanone, 1-(3-cycloocten-1-yl)-
CAS 32669-00-4
What Is Ethanone, 1-(3-cycloocten-1-yl)-?
Ethanone, 1-(3-cycloocten-1-yl)- is a synthetic fragrance ingredient used in perfumery to add unique woody and balsamic nuances. It’s rarely encountered by name in consumer products, appearing as part of complex fragrance formulas. This molecule is valued for its ability to impart depth and complexity to modern woody and amber accords, often serving as a subtle fixative that enhances longevity without overpowering other notes.
Safety Profile
USE WITH AWARENESSWhat Does Ethanone, 1-(3-cycloocten-1-yl)- Smell Like?
This synthetic ketone presents a complex olfactory profile that evolves from initial sharp, almost rubbery greenness to reveal a warm, woody-balsamic heart. Imagine the scent of freshly cut oak aging into rich amber, with subtle undertones reminiscent of dried fruits and faint leather. The dry-down reveals a smooth, slightly sweet character that blends exceptionally well with other woody materials, adding a sophisticated depth to fragrance compositions without dominating the overall scent profile.
2D Molecular Structure
SMILES: CC(=O)C1CCCC\C=C/C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(3-Cycloocten-1-yl)ethanone belongs to the class of cyclic unsaturated ketones, synthesized through Friedel-Crafts acylation of cyclooctene with acetyl chloride. Its eight-membered ring structure with an exocyclic carbonyl group creates unique steric effects that influence both its volatility and odor characteristics. The molecule’s conformational flexibility allows it to interact with multiple olfactory receptors, contributing to its complex scent profile. While purely synthetic in commercial applications, similar structures have been identified in trace amounts in some natural resins.
Physical & Chemical Properties
| Boiling Point | Not established |
|---|---|
| Density | Not established |
| Molecular Weight | 152.23 g/mol (calculated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as woody-balsamic modifier |
| Functional Fragrances | 0.1-1% | Up to 2% | Adds depth to cleaning products |
Classic Accords
Tip: Use in trace amounts to enhance woody accords without introducing harshness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Not specifically listed in any amendments.
RIFM Assessment
Not currently evaluated by RIFM. Limited toxicological data available.
Sustainability
As a fully synthetic material, this compound avoids natural resource depletion concerns. Production typically involves petroleum-derived precursors, though modern synthetic routes aim to minimize environmental impact through catalytic processes and solvent recovery systems. The material’s potency at low concentrations contributes to reduced environmental loading compared to higher-usage fragrance ingredients.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 32669-00-4Physical Properties
| Molecular Weight | 152.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| log Kp (skin permeability) | -1.854💻 Calculated |
| SMILES | CC(=O)C1CCCCC=CC1🔬 PubChem |
Odor & Flavor
| 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: DTXSID10885542
Physical Properties
| Molecular Weight | 152.237 g/mol🔬 EPA CompTox |
| Density | 0.925 g/cm^3📊 OPERA |
| Boiling Point | 221.967 °C📊 OPERA |
| Melting Point | 3.79 °C📊 OPERA |
| Flash Point | 83.199 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 166.474 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.82 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.82 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.82 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.19 Log10 unitless📊 OPERA |
| Water Solubility | 0.011 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.151 mmHg📊 OPERA |
| Viscosity | 2.112 cP📊 OPERA |
| Surface Tension | 30.61 dyn/cm📊 OPERA |
| Thermal Conductivity | 134.97 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 | 45.703 cm^3/mol📊 OPERA |
| Polarizability | 18.118 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.
