Octahydro-7-methyl-1,4-methanonaphtalen-6(2H)-one (CAS 41724-19-0) — Woody Base Note Fragrance Ingredient
Octahydro-7-methyl-1,4-methanonaphtalen-6(2H)-one
CAS 41724-19-0
What Is Octahydro-7-methyl-1,4-methanonaphtalen-6(2H)-one?
Octahydro-7-methyl-1,4-methanonaphtalen-6(2H)-one is a synthetic fragrance ingredient used in perfumery to create woody, amber-like scents. It’s found in niche fragrances and some personal care products. This molecule helps perfumers achieve complex base notes with excellent longevity. Its unique structure allows it to bridge between woody and amber accords, making it valuable for modern fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does Octahydro-7-methyl-1,4-methanonaphtalen-6(2H)-one Smell Like?
This synthetic amber-woody molecule opens with a dry, slightly camphoraceous top note reminiscent of aged timber. As it evolves, it reveals a complex heart of warm ambery tones with subtle leathery undertones. The dry-down is exceptionally tenacious, leaving a refined woody-musky trail that blends beautifully with sandalwood and patchouli accords. Its scent profile combines the depth of aged woods with the sophistication of high-end amber bases.
2D Molecular Structure
SMILES: CC1CC2C3CCC(C3)C2CC1=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Octahydro-7-methyl-1,4-methanonaphtalen-6(2H)-one belongs to the bicyclic terpenoid ketone class. While not found in nature, its structure is inspired by degraded terpenes found in aged woods and ambers. Synthesis typically involves Diels-Alder reactions of terpene precursors followed by hydrogenation and oxidation steps. The molecule’s rigid bicyclic framework contributes to its excellent stability and longevity in fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Strength | Medium to strong |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Used as woody-amber base note |
| Home Fragrance | 1-4% | Up to 8% | Provides long-lasting woody character |
Classic Accords
Tip: Use with ionones to soften the woody character and enhance diffusion.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
Not yet evaluated by RIFM.
Sustainability
As a synthetic material, this ingredient avoids natural resource depletion. Its production can be optimized for atom economy and reduced solvent use. Being petroleum-derived, its environmental impact depends on manufacturing processes and energy sources.
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Physicochemical Properties
DTXSID: DTXSID1052088
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 1.036 g/cm^3📊 OPERA |
| Boiling Point | 264.35 °C📊 OPERA |
| Melting Point | 28.784 °C📊 OPERA |
| Flash Point | 108.22 °C📊 OPERA |
| Refractive Index | 1.507 Dimensionless📊 OPERA |
| Molar Volume | 173.675 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.786 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.786 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.786 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.96 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.018 mmHg📊 OPERA |
| Viscosity | 9.504 cP📊 OPERA |
| Surface Tension | 35.049 dyn/cm📊 OPERA |
| Thermal Conductivity | 117.486 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 | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 51.672 cm^3/mol📊 OPERA |
| Polarizability | 20.485 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.
