Ethanone, 1-(1-cycloocten-1-yl)- (CAS 17339-74-1) — Woody Middle Note Fragrance Ingredient
Ethanone, 1-(1-cycloocten-1-yl)-
CAS 17339-74-1
What Is Ethanone, 1-(1-cycloocten-1-yl)-?
Ethanone, 1-(1-cycloocten-1-yl)- is a synthetic fragrance ingredient primarily used in perfumery to add unique aromatic qualities. While not commonly encountered in everyday products, it may appear in niche or artisanal fragrances. This compound matters to perfumers for its ability to contribute complex, nuanced scents that are difficult to achieve with more common ingredients.
Safety Profile
USE WITH AWARENESSWhat Does Ethanone, 1-(1-cycloocten-1-yl)- Smell Like?
Ethanone, 1-(1-cycloocten-1-yl)- offers a distinctive aroma characterized by its woody, slightly fruity, and musky notes. The scent evolves from a sharp, green top note to a heart of warm, resinous undertones, finishing with a dry, earthy base. Its complex profile makes it a versatile tool for perfumers seeking to create depth and intrigue in a fragrance.
2D Molecular Structure
SMILES: CC(=O)C1=CCCCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethanone, 1-(1-cycloocten-1-yl)- is a synthetic ketone with a cyclooctene ring structure. It is typically synthesized through catalytic reactions involving cyclooctene and acetylating agents. The compound’s unique structure contributes to its complex olfactory profile, making it a valuable ingredient in niche perfumery.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used for complexity and depth |
Classic Accords
Tip: Use sparingly 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 apply to this compound.
RIFM Assessment
Limited safety assessment data available from RIFM.
Sustainability
As a synthetic compound, Ethanone, 1-(1-cycloocten-1-yl)- is produced in controlled laboratory settings, minimizing environmental impact compared to some natural extracts. Its synthesis can be optimized for efficiency and reduced waste.
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Physicochemical Properties
DTXSID: DTXSID6075435
Physical Properties
| Molecular Weight | 152.237 g/mol🔬 EPA CompTox |
| Density | 0.935 g/cm^3📊 OPERA |
| Boiling Point | 230.88 °C📊 OPERA |
| Melting Point | 14.053 °C📊 OPERA |
| Flash Point | 91.726 °C📊 OPERA |
| Refractive Index | 1.468 Dimensionless📊 OPERA |
| Molar Volume | 164.467 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.886 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.886 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.886 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.69 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.104 mmHg📊 OPERA |
| Surface Tension | 33.116 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.699 cm^3/mol📊 OPERA |
| Polarizability | 18.116 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.
