6,8-Dimethylnonan-2-ol (CAS 70214-77-6) — Woody Middle Note Fragrance Ingredient
6,8-Dimethylnonan-2-ol
CAS 70214-77-6
What Is 6,8-Dimethylnonan-2-ol?
6,8-Dimethylnonan-2-ol is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances. This molecule contributes to fresh, woody, and slightly floral scent profiles, making it valuable for creating contemporary fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 6,8-Dimethylnonan-2-ol Smell Like?
6,8-Dimethylnonan-2-ol presents a fresh, woody character with subtle floral undertones. The scent evolves from an initial crispness reminiscent of green stems to a warmer, more rounded woody base. Its dry-down reveals a clean, slightly musky quality that blends well with other materials, providing longevity without overpowering.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-modifier to create contemporary forest accords, providing freshness without pine or cedar dominance.
2D Molecular Structure
SMILES: CC(C)CC(C)CCCC(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
6,8-Dimethylnonan-2-ol is a branched-chain fatty alcohol. As a synthetic material, it’s typically produced through hydroformylation or Grignard reactions of appropriate precursors. The specific branching pattern contributes to its unique olfactory properties and volatility profile.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody-modifier in modern compositions |
Classic Accords
Tip: Use to add woody freshness without traditional coniferous notes.
Alternatives & Comparisons
For stronger woody character with less freshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Limited safety assessment available.
Sustainability
As a synthetic material, production can be controlled with minimal environmental impact compared to natural alternatives. No known sustainability concerns in current manufacturing processes.
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Ingredient Data Sheet
CAS 70214-77-6Physical Properties
| Molecular Weight | 172.31 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.9🔬 PubChem |
| Boiling Point | 221 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0407 mmHg @ 25°C📊 OPERA |
| Flash Point | 85.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0033💻 Calculated |
| log Kp (skin permeability) | -0.982💻 Calculated |
| SMILES | CC(C)CC(C)CCCC(C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralwoody• 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: DTXSID2052449
Physical Properties
| Molecular Weight | 172.312 g/mol🔬 EPA CompTox |
| Density | 0.819 g/cm^3📊 OPERA |
| Boiling Point | 221.166 °C📊 OPERA |
| Melting Point | -0.914 °C📊 OPERA |
| Flash Point | 87.434 °C📊 OPERA |
| Refractive Index | 1.435 Dimensionless📊 OPERA |
| Molar Volume | 208.746 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.705 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.705 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.705 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.67 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.032 mmHg📊 OPERA |
| Viscosity | 10.218 cP📊 OPERA |
| Surface Tension | 26.628 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.144 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 54.421 cm^3/mol📊 OPERA |
| Polarizability | 21.574 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.
