3,7-Dimethyl-7-methoxyoctan-2-ol (CAS 41890-92-0) — Woody Middle Note Fragrance Ingredient
3,7-Dimethyl-7-methoxyoctan-2-ol
CAS 41890-92-0
What Is 3,7-Dimethyl-7-methoxyoctan-2-ol?
3,7-Dimethyl-7-methoxyoctan-2-ol is a synthetic fragrance ingredient used in perfumes and personal care products to add a fresh, woody character. It’s commonly found in fine fragrances, body washes, and air fresheners. This molecule matters because it helps create modern, clean scent profiles that are popular in contemporary perfumery, often serving as a subtle modifier to enhance other notes without overpowering them.
Safety Profile
GENERALLY SAFEWhat Does 3,7-Dimethyl-7-methoxyoctan-2-ol Smell Like?
This synthetic molecule offers a crisp, clean woody note with subtle citrus undertones. It opens with a faintly metallic freshness that quickly settles into a smooth, slightly sweet woodiness reminiscent of freshly sanded cedar. The dry-down reveals a soft, musky base that lingers close to the skin. It behaves like a chameleon in blends – amplifying citrus top notes while providing subtle structure to floral heart notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the crisp woody facet that complements the marine notes, providing structure without heaviness.
Contributes to the modern woody-ambery signature, helping bridge the citrus top to woody base notes.
2D Molecular Structure
SMILES: COC(C)(C)CCCC(C)C(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
3,7-Dimethyl-7-methoxyoctan-2-ol belongs to the family of branched aliphatic alcohols. While not found in nature, it shares structural similarities with some terpenoid compounds. Industrial synthesis typically involves Grignard reactions or hydroformylation of suitable precursors. The methoxy group at position 7 contributes to its unique odor profile and stability.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | ~220°C (estimated) |
| Density | ~0.89 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 8% | Provides woody freshness |
| Functional Products | 0.1-1% | Up to 2% | Used in detergents for clean scent |
Classic Accords
Tip: Use with citrus top notes to prevent sharpness and with woody bases to add lift.
Alternatives & Comparisons
More pronounced woody character with less freshness. Better for oriental compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, production can be optimized for minimal environmental impact. Being petroleum-derived, carbon footprint considerations apply, but its potency means relatively small quantities are needed in formulations.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5052090
Physical Properties
| Molecular Weight | 188.311 g/mol🔬 EPA CompTox |
| Density | 0.854 g/cm^3📊 OPERA |
| Boiling Point | 228.243 °C📊 OPERA |
| Melting Point | -25.514 °C📊 OPERA |
| Flash Point | 73.6 °C📊 OPERA |
| Refractive Index | 1.436 Dimensionless📊 OPERA |
| Molar Volume | 214.78 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.658 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.658 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.658 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.5 Log10 unitless📊 OPERA |
| Water Solubility | 0.038 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.018 mmHg📊 OPERA |
| Viscosity | 12.04 cP📊 OPERA |
| Surface Tension | 27.312 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.918 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 56.174 cm^3/mol📊 OPERA |
| Polarizability | 22.269 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.
