3,7-Dimethyl-1-octanol (CAS 106-21-8) — Floral Middle Note Fragrance Ingredient
3,7-Dimethyl-1-octanol
CAS 106-21-8
What Is 3,7-Dimethyl-1-octanol?
3,7-Dimethyl-1-octanol is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes a fresh, floral, and slightly woody aroma. This ingredient helps create balanced, long-lasting scents in everything from fine fragrances to household cleaners.
Safety Profile
GENERALLY SAFEWhat Does 3,7-Dimethyl-1-octanol Smell Like?
3,7-Dimethyl-1-octanol offers a fresh, floral bouquet with subtle woody undertones. Its initial burst is crisp and clean, evolving into a heart of delicate floralcy reminiscent of lily-of-the-valley. The dry-down reveals a soft, musky-woody character that provides excellent tenacity. This versatile material bridges floral and woody accords with remarkable diffusion.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral modifier to enhance the aldehydic bouquet and provide depth to the ylang-ylang and rose heart notes.
Employed to reinforce the muguet (lily-of-the-valley) accord and add diffusion to the floral composition.
Contributes to the sparkling floralcy and helps bridge the carnation and rose notes with the woody base.
2D Molecular Structure
SMILES: CC(C)CCCC(C)CCO
Chemistry, Properties & Perfumer Guide
The Chemistry
3,7-Dimethyl-1-octanol is a branched-chain fatty alcohol. As a synthetic material, it’s typically produced through hydroformylation of diisobutylene followed by hydrogenation. The molecule’s branching at the 3 and 7 positions contributes to its unique olfactory properties and stability in formulations. Its relatively low molecular weight (158.28 g/mol) and moderate XLogP (~3.2) make it versatile in both alcohol-based and oil-based fragrance systems.
Physical & Chemical Properties
| Boiling Point | 214-216 °C |
|---|---|
| Density | 0.825 g/cm³ |
| Refractive Index | 1.433 |
| Flash Point | 93 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 8% | Floral heart note modifier |
| Soap | 0.5-2% | Up to 3% | Provides floral lift |
| Detergents | 0.1-0.5% | Up to 1% | Fresh floral note |
Classic Accords
Tip: Use to add diffusion and lift to floral compositions without introducing harshness.
Alternatives & Comparisons
More rosy character, useful when a fuller floral effect is desired.
Natural alternative with linden blossom character, though less stable in alkaline systems.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (Amendment 49).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, 3,7-Dimethyl-1-octanol offers consistent quality without natural resource depletion. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes. Its efficiency in formulations (low usage levels) contributes to reduced environmental load compared to some natural alternatives.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5044360
Physical Properties
| Molecular Weight | 158.285 g/mol🔬 EPA CompTox |
| Density | 0.831 g/cm^3🔬 EPA CTX |
| Boiling Point | 214.566 °C🔬 EPA CTX |
| Melting Point | -40.37 °C🔬 EPA CTX |
| Flash Point | 96.626 °C🔬 EPA CTX |
| Refractive Index | 1.433 Dimensionless📊 OPERA |
| Molar Volume | 191.862 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.99 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.588 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.588 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.86 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg🔬 EPA CTX |
| Viscosity | 6.171 cP📊 OPERA |
| Surface Tension | 27.182 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.741 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 | 49.83 cm^3/mol📊 OPERA |
| Polarizability | 19.754 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.
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