Octahydro-4,8a-dimethyl-4a(2H)-naphthol (CAS 23333-91-7) — Woody Base Note Fragrance Ingredient
Octahydro-4,8a-dimethyl-4a(2H)-naphthol
CAS 23333-91-7
What Is Octahydro-4,8a-dimethyl-4a(2H)-naphthol?
Octahydro-4,8a-dimethyl-4a(2H)-naphthol is a synthetic fragrance ingredient used to add woody, ambery nuances to perfumes. You’ll encounter it in high-end fragrances where it contributes to long-lasting base notes. This molecule matters because it can mimic rare natural ambergris notes without ethical concerns, offering consistent quality across batches.
Safety Profile
GENERALLY SAFEWhat Does Octahydro-4,8a-dimethyl-4a(2H)-naphthol Smell Like?
A complex woody-amber profile with facets of dry driftwood and sun-warmed leather. Opens with subtle camphoraceous lift before settling into a rich, slightly animalic heart reminiscent of aged whisky barrels. The dry-down reveals a sophisticated tobacco-like sweetness with exceptional tenacity on skin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the ambery core with a modern synthetic alternative to traditional animalic materials, providing better stability in the oriental accord.
2D Molecular Structure
SMILES: CC1CCCC2(C)CCCCC12O
Chemistry, Properties & Perfumer Guide
The Chemistry
A fully hydrogenated naphthol derivative belonging to the decalin structural family. Synthesized via catalytic hydrogenation of appropriate naphthalene precursors followed by selective methylation. The stereochemistry at multiple centers creates complex odor variation between different synthesis batches.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow viscous liquid |
|---|---|
| Molecular Weight | 208.34 g/mol |
| XLogP | 4.2 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Base note fixative |
| Home Fragrance | 0.5-2% | Up to 3% | Amber accord component |
Classic Accords
Tip: Combine with ionones to create velvety amber effects.
Alternatives & Comparisons
When a cleaner, more diffusive ambery effect is needed. Lacks the tobacco nuances but offers better transparency in fresh compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed on transparency list.
RIFM Assessment
Under evaluation by RIFM. Preliminary data shows low acute toxicity.
Sustainability
Synthetic production avoids overharvesting of natural ambergris. The hydrogenation process requires precious metal catalysts but generates minimal waste compared to traditional ambergris tincture production.
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References
- PubChem Compound Summary for CID 6435945 PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 23333-91-7Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 270 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.469💻 Calculated |
| SMILES | CC1CCCC2(C1(CCCC2)O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | alcohol💻 RDKit |
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: DTXSID8051887
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.971 g/cm^3📊 OPERA |
| Boiling Point | 270 °C🔬 EPA CTX |
| Melting Point | 68.99 °C📊 OPERA |
| Flash Point | 105.351 °C📊 OPERA |
| Refractive Index | 1.506 Dimensionless📊 OPERA |
| Molar Volume | 184.914 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.952 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.952 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.952 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.39 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 | 12.851 cP📊 OPERA |
| Surface Tension | 35.63 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.422 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 | 54.978 cm^3/mol📊 OPERA |
| Polarizability | 21.795 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.
