6-Isopropyl-2(1H)-octahydronaphthalenone (CAS 34131-98-1) — Woody Base Note Fragrance Ingredient
6-Isopropyl-2(1H)-octahydronaphthalenone
CAS 34131-98-1
What Is 6-Isopropyl-2(1H)-octahydronaphthalenone?
6-Isopropyl-2(1H)-octahydronaphthalenone is a synthetic fragrance ingredient used to add woody, earthy notes to perfumes and colognes. It’s found in niche fragrances seeking complex dry-down characteristics. This molecule helps create sophisticated, long-lasting base notes that blend well with amber and musk accords, making it valuable for unisex and masculine fragrances.
Safety Profile
USE WITH AWARENESSWhat Does 6-Isopropyl-2(1H)-octahydronaphthalenone Smell Like?
This synthetic molecule opens with a sharp, camphoraceous edge that quickly settles into a warm woody heart reminiscent of aged cedar chests and dry tobacco leaves. As it evolves, it reveals subtle leathery undertones with a faintly sweet, almost vanillic dry-down. The scent profile is linear but deep, providing excellent tenacity on skin with a texture that feels simultaneously rough (like unpolished wood) and smooth (like well-worn leather).
2D Molecular Structure
SMILES: CC(C)C1CCC2CC(=O)CCC2C1
Chemistry, Properties & Perfumer Guide
The Chemistry
6-Isopropyl-2(1H)-octahydronaphthalenone belongs to the decalin ketone class, structurally featuring a bicyclic framework with an isopropyl substituent. While not found in nature, it shares structural motifs with some sesquiterpenoids. Industrial synthesis typically involves catalytic hydrogenation of appropriate naphthalene precursors followed by selective oxidation. The molecule’s rigid structure contributes to its low volatility and distinctive olfactory properties.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Base note fixative |
| Home Care | 0.1-0.5% | Up to 1% | Background woody note |
Classic Accords
Tip: Use as an alternative to more expensive woody absolutes in masculine bases.
Alternatives & Comparisons
More transparent woody effect with better diffusion at similar usage levels.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions as of Amendment 51.
RIFM Assessment
Not currently evaluated by RIFM.
Sustainability
As a synthetic material, this compound avoids natural resource depletion but requires petrochemical feedstocks. Manufacturing energy demands are moderate compared to some complex fragrance synthetics. No known environmental persistence concerns.
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Physicochemical Properties
DTXSID: DTXSID10865703
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.946 g/cm^3📊 OPERA |
| Boiling Point | 273.5 °C🔬 EPA CTX |
| Melting Point | 17.757 °C📊 OPERA |
| Flash Point | 118.404 °C📊 OPERA |
| Refractive Index | 1.474 Dimensionless📊 OPERA |
| Molar Volume | 207.034 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.851 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.851 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.851 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.62 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.017 mmHg📊 OPERA |
| Viscosity | 7.811 cP📊 OPERA |
| Surface Tension | 33.072 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.644 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 58.165 cm^3/mol📊 OPERA |
| Polarizability | 23.058 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.
