2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-7-methoxy-1,1,5,5-tetramethyl- (CAS 676125-00-1) — Woody Base Note Fragrance Ingredient
2H-_2,_4a-_Methanonaphthalene, 1,_3,_4,_5,_6,_7-_hexahydro-_7-_methoxy-_1,_1,_5,_5-_tetramethyl-
CAS 676125-00-1
What Is 2H-_2,_4a-_Methanonaphthalene, 1,_3,_4,_5,_6,_7-_hexahydro-_7-_methoxy-_1,_1,_5,_5-_tetramethyl-?
2H-2,4a-Methanonaphthalene is a synthetic fragrance ingredient used in modern perfumery. It imparts unique woody and amber nuances to compositions. Consumers encounter it in high-end fragrances where it contributes to sophisticated dry-down effects. This molecule matters because it offers perfumers a sustainable alternative to rare natural materials while maintaining complexity.
Safety Profile
GENERALLY SAFEWhat Does 2H-_2,_4a-_Methanonaphthalene, 1,_3,_4,_5,_6,_7-_hexahydro-_7-_methoxy-_1,_1,_5,_5-_tetramethyl- Smell Like?
This synthetic molecule opens with a crisp, modern woody character reminiscent of freshly sanded cedar planks. As it evolves, subtle amber undertones emerge, like sun-warmed tree resin. The dry-down reveals a sophisticated muskiness akin to vintage leather book bindings, with a faint metallic edge that keeps the scent contemporary.
2D Molecular Structure
SMILES: COC1CC(C)(C)C23CCC(C2)C(C)(C)C3=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2H-2,4a-Methanonaphthalene belongs to the bicyclic sesquiterpenoid class, though it is produced synthetically. The molecule features a unique methanonaphthalene core structure that contributes to its stability and diffusion properties. Current synthesis routes typically involve catalytic cyclization of appropriate precursors, though proprietary methods may vary among manufacturers.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used for woody-amber foundation |
| Home Care | 0.5-1% | Up to 2% | Provides lasting freshness |
Classic Accords
Tip: Use with citrus top notes to prevent the dry-down from becoming too heavy.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
RIFM Assessment
No RIFM assessment found for this specific compound.
Sustainability
As a synthetic material, this ingredient doesn’t deplete natural resources. However, its environmental impact depends on the energy inputs and byproducts of its synthesis process. Some manufacturers may offer greener production methods.
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Physicochemical Properties
DTXSID: DTXSID601373515
Physical Properties
| Molecular Weight | 234.383 g/mol🔬 EPA CompTox |
| Density | 0.962 g/cm^3📊 OPERA |
| Boiling Point | 285.404 °C📊 OPERA |
| Melting Point | 44.801 °C📊 OPERA |
| Flash Point | 124.007 °C📊 OPERA |
| Refractive Index | 1.512 Dimensionless📊 OPERA |
| Molar Volume | 237.881 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.303 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.303 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.303 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.57 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Surface Tension | 32.206 dyn/cm📊 OPERA |
| Thermal Conductivity | 110.171 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 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 | 71.401 cm^3/mol📊 OPERA |
| Polarizability | 28.306 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.
