5,8-Methano-2H-1-benzopyran-2-one, 6- ethylideneoctahydro- (CAS 69486-14-2) — Woody Base Note Fragrance Ingredient
5,8-Methano-2H-1-benzopyran-2-one, 6- ethylideneoctahydro-
CAS 69486-14-2
What Is 5,8-Methano-2H-1-benzopyran-2-one, 6- ethylideneoctahydro-?
5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro- is a synthetic fragrance ingredient used in modern perfumery to add woody, amber-like nuances. It’s found in niche perfumes and home fragrance products. This molecule is valued for its ability to enhance longevity and add a subtle complexity to fragrance compositions, making it a favorite among perfumers seeking unique accords.
Safety Profile
USE WITH AWARENESSWhat Does 5,8-Methano-2H-1-benzopyran-2-one, 6- ethylideneoctahydro- Smell Like?
This synthetic molecule offers a rich, woody-amber character with subtle animalic undertones. It evolves on the skin, starting with a slightly sharp, almost metallic edge that quickly mellows into a warm, slightly sweet base. The dry-down reveals a lingering, almost musky depth that blends seamlessly with other woody notes.
2D Molecular Structure
SMILES: CC=C1CC2CC1C1CCC(=O)OC21
Chemistry, Properties & Perfumer Guide
The Chemistry
5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro- is a synthetic coumarin derivative. It belongs to the benzopyran class of compounds, known for their woody-amber olfactory properties. The molecule is typically synthesized through multi-step organic reactions, including cyclization and hydrogenation processes. Its structure allows for excellent stability in various pH conditions, making it versatile in formulation.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds depth and longevity |
| Home Fragrance | 2-5% | Up to 8% | Enhances woody accords |
Classic Accords
Tip: Use in small quantities to avoid overpowering other notes.
Alternatives & Comparisons
A more widely used amberwood alternative with similar longevity but less animalic nuance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA, but usage should be monitored due to sensitization potential.
GHS Classification
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
As a synthetic molecule, its production is controlled in laboratory settings, reducing environmental impact compared to some natural alternatives. However, the synthesis process may involve petrochemical precursors.
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References
- PubChem Compound Summary for 5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro- PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 69486-14-2Physical Properties
| Molecular Weight | 192.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.7🔬 PubChem |
| Boiling Point | 278 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0001 mmHg @ 25°C📊 OPERA |
| Flash Point | 139.6 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.666💻 Calculated |
| SMILES | CC=C1CC2CC1C3C2OC(=O)CC3🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.1 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esteretheralkene💻 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: DTXSID8052439
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.161 g/cm^3📊 OPERA |
| Boiling Point | 304.572 °C📊 OPERA |
| Melting Point | 61.425 °C📊 OPERA |
| Flash Point | 143.374 °C📊 OPERA |
| Refractive Index | 1.593 Dimensionless📊 OPERA |
| Molar Volume | 161.938 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.088 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.088 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.088 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 9.399 cP📊 OPERA |
| Surface Tension | 46.722 dyn/cm📊 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 | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 54.84 cm^3/mol📊 OPERA |
| Polarizability | 21.74 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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