Decahydro-beta-naphthol (CAS 825-51-4) — Woody Base Note Fragrance Ingredient
Decahydro-beta-naphthol
CAS 825-51-4
What Is Decahydro-beta-naphthol?
Decahydro-beta-naphthol is a synthetic fragrance ingredient used in perfumes and scented products. It provides woody, earthy notes. This compound is valued for its stability and blending properties, often used to enhance longevity in fragrance compositions.
Safety Profile
USE WITH AWARENESSWhat Does Decahydro-beta-naphthol Smell Like?
Decahydro-beta-naphthol offers a dry, woody aroma with subtle earthy undertones. It evolves from a sharp initial note to a smooth, lingering base. The scent profile is reminiscent of aged cedarwood, with a clean, slightly medicinal edge that adds depth to fragrance blends.
2D Molecular Structure
SMILES: OC1CCC2CCCCC2C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Decahydro-beta-naphthol is a synthetic terpenoid compound. It is derived through hydrogenation of beta-naphthol, resulting in a saturated structure. This process enhances stability and modifies odor characteristics. The compound’s rigid cyclohexane rings contribute to its woody scent profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Not readily available |
| Density | Not readily available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as fixative |
| Functional Fragrances | 0.5-2% | Up to 3% | Adds woody depth |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes.
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
Synthetic production allows consistent quality without natural resource depletion. Manufacturing process should follow green chemistry principles to minimize environmental impact.
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Ingredient Data Sheet
CAS 825-51-4Physical Properties
| Molecular Weight | 154.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.9🔬 PubChem |
| Boiling Point | 226 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0061 mmHg @ 25°C📊 OPERA |
| Flash Point | 102.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0005💻 Calculated |
| log Kp (skin permeability) | -1.582💻 Calculated |
| SMILES | C1CCC2CC(CCC2C1)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.8 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcohol💻 RDKit |
| “Mild, sweet, slightly camphoraceous-woody, also warm and mildly spicy odor of fair tenacity. The odor has been compared to that of Dihydrocarveol, but such description does not help many perfumers.”📖 Arctander | |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID10862434
Physical Properties
| Molecular Weight | 154.253 g/mol🔬 EPA CompTox |
| Density | 1.007 g/cm^3📊 OPERA |
| Boiling Point | 233.614 °C📊 OPERA |
| Melting Point | 52.885 °C📊 OPERA |
| Flash Point | 101.969 °C📊 OPERA |
| Refractive Index | 1.501 Dimensionless📊 OPERA |
| Molar Volume | 155.414 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.923 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.923 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.923 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.48 Log10 unitless📊 OPERA |
| Water Solubility | 0.011 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.021 mmHg📊 OPERA |
| Viscosity | 18.509 cP📊 OPERA |
| Surface Tension | 33.994 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.208 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 | 45.76 cm^3/mol📊 OPERA |
| Polarizability | 18.141 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.
