1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol (CAS 41199-19-3) — Woody Base Note Fragrance Ingredient
1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol
CAS 41199-19-3
What Is 1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol?
1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol is a synthetic fragrance ingredient used in perfumes and scented products. It contributes to woody, amber-like accords. This ingredient matters because it enhances longevity and adds depth to modern fragrance compositions, often mimicking natural amber notes.
Safety Profile
GENERALLY SAFEWhat Does 1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol Smell Like?
This synthetic molecule offers a rich, woody-amber profile with subtle animalic undertones. It evolves from a slightly camphoraceous top to a warm, resinous heart, drying down to a smooth, musky base. The scent is reminiscent of aged wood and sun-warmed amber, with a modern, clean edge.
2D Molecular Structure
SMILES: CC1(O)CCC2C(C1)=CCCC2(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol is a synthetic terpenoid derivative. It belongs to the decalin family, characterized by its fused cyclohexane rings. The molecule’s stereochemistry significantly impacts its olfactory properties, with different isomers exhibiting varying scent profiles. It is typically synthesized via hydrogenation and methylation of naphthalene derivatives.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds depth and longevity |
| Home Fragrance | 0.5-2% | Up to 3% | Enhances woody accords |
Classic Accords
Tip: Use in small amounts to avoid overpowering the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, it offers consistent quality and avoids natural resource depletion. Production should follow green chemistry principles to minimize environmental impact.
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Physicochemical Properties
DTXSID: DTXSID1052084
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.968 g/cm^3📊 OPERA |
| Boiling Point | 269.715 °C📊 OPERA |
| Melting Point | 78.632 °C📊 OPERA |
| Flash Point | 117.362 °C📊 OPERA |
| Refractive Index | 1.512 Dimensionless📊 OPERA |
| Molar Volume | 197.886 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.584 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.584 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.584 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.57 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 9.96 cP📊 OPERA |
| Surface Tension | 33.654 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.319 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 | 59.361 cm^3/mol📊 OPERA |
| Polarizability | 23.532 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.
