4,7-Methano-1H-inden-5-ol, octahydro-3,4,5-trimethyl- (CAS 1340502-69-3) — Woody Base Note Fragrance Ingredient
4,7-Methano-1H-inden-5-ol, octahydro-3,4,5-trimethyl-
CAS 1340502-69-3
What Is 4,7-Methano-1H-inden-5-ol, octahydro-3,4,5-trimethyl-?
4,7-Methano-1H-inden-5-ol, octahydro-3,4,5-trimethyl- is a synthetic fragrance ingredient used in modern perfumery to add woody, earthy nuances. It’s found in niche fragrances seeking complex, long-lasting base notes. This molecule matters because it can mimic rare natural aromas while offering superior stability and consistency in formulations.
Safety Profile
GENERALLY SAFEWhat Does 4,7-Methano-1H-inden-5-ol, octahydro-3,4,5-trimethyl- Smell Like?
A dense, woody-ambergris character with subtle animalic warmth. Imagine damp forest soil under cedar trees after rain, transitioning to a smooth leather-like dryness. The initial sharpness gives way to a persistent mineralic quality resembling sun-warmed stones. In drydown, reveals faintly sweet tobacco nuances wrapped in an earthy musk cocoon.
2D Molecular Structure
SMILES: CC1CCC2C3CC(C)(O)C(C)(C3)C12
Chemistry, Properties & Perfumer Guide
The Chemistry
A synthetic tricyclic alcohol derived from camphor-like structures. Its rigid methanoindenol framework creates exceptional tenacity. Typical synthesis involves Diels-Alder reactions followed by hydrogenation and methylation steps. The three methyl groups introduce steric hindrance that slows evaporation while enhancing woody olfactory characteristics.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | For woody-ambergris effects |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Background fixative |
Classic Accords
Tip: Use with ionones to soften woody sharpness; combines well with synthetic musks for 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. Monitor for future amendments.
RIFM Assessment
Under review by RIFM. Preliminary data suggests standard usage levels are safe.
Sustainability
Synthetic production avoids natural resource depletion. Manufacturing requires petrochemical feedstocks but at smaller scale than commodity chemicals. No known ecological accumulation concerns at current usage levels.
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Physicochemical Properties
DTXSID: DTXSID20889293
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 1.016 g/cm^3📊 OPERA |
| Boiling Point | 265.297 °C📊 OPERA |
| Melting Point | 95.382 °C📊 OPERA |
| Flash Point | 116.152 °C📊 OPERA |
| Refractive Index | 1.521 Dimensionless📊 OPERA |
| Molar Volume | 189.599 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.367 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.367 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.367 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.46 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg📊 OPERA |
| Surface Tension | 36.253 dyn/cm📊 OPERA |
| Thermal Conductivity | 114.21 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.743 cm^3/mol📊 OPERA |
| Polarizability | 22.891 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.
