2,4,7-Trimethyloct-6-en-1-ol (CAS 1913285-57-0) — Woody Top to middle Note Fragrance Ingredient
2,4,7-Trimethyloct-6-en-1-ol
CAS 1913285-57-0
What Is 2,4,7-Trimethyloct-6-en-1-ol?
2,4,7-Trimethyloct-6-en-1-ol is a synthetic fragrance ingredient used in modern perfumery. It adds a fresh, woody character to scents. You might encounter it in body washes, deodorants, or fine fragrances where a clean, natural effect is desired. This material matters because it helps create the illusion of freshly cut stems or crisp outdoor air without relying on natural extracts. Perfumers value its stability and versatility in blending with both citrus and woody notes.
Safety Profile
USE WITH AWARENESSWhat Does 2,4,7-Trimethyloct-6-en-1-ol Smell Like?
2,4,7-Trimethyloct-6-en-1-ol opens with a crisp, green freshness reminiscent of snapped twigs and dewy leaves. The initial burst evolves into a transparent woodiness, like sun-warmed cedar shavings with a subtle citrus undertone. As it dries down, it reveals a clean muskiness that provides excellent diffusion. The overall effect is of a well-groomed forest – neither too sweet nor too sharp, with just enough complexity to avoid being clinical. It performs particularly well in modern fougères and woody-aquatic compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-green bridge between the citrus top and ambroxan base, contributing to the fragrance’s signature ‘outdoorsy’ freshness.
Provides a crisp, modern wood note that complements the incense accord, adding lift and diffusion to the heart.
2D Molecular Structure
SMILES: CC(CO)CC(C)CC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4,7-Trimethyloct-6-en-1-ol belongs to the class of branched unsaturated alcohols. While not found in nature, its structure mimics certain terpenoid derivatives. It’s typically synthesized via hydroformylation of corresponding dienes followed by reduction. The molecule’s branching pattern creates steric hindrance that affects both its odor profile and evaporation rate. The double bond at position 6 contributes to its fresh character while the hydroxyl group provides moderate polarity for balanced performance.
Physical & Chemical Properties
| Appearance | Clear colorless liquid |
|---|---|
| Boiling Point | ~220-230°C (estimated) |
| Density | ~0.85-0.90 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody freshness booster |
| Functional Products | 0.1-0.5% | Up to 1% | Clean scent modifier |
Classic Accords
Tip: Use with citrus materials to prevent the woodiness from becoming too heavy in the top notes.
Alternatives & Comparisons
Provides similar woody-green effects but with more pronounced cedar character and better tenacity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards.
RIFM Assessment
Under evaluation as of 2023 – preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, 2,4,7-Trimethyloct-6-en-1-ol offers consistent quality without natural sourcing constraints. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes. Its efficiency in formulations (requiring low usage levels) helps reduce overall environmental impact compared to materials needing higher concentrations.
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Ingredient Data Sheet
CAS 1913285-57-0Physical Properties
| Molecular Weight | 170.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 241 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0075 mmHg @ 25°C📊 OPERA |
| Flash Point | 108 °C🔬 EPA CompTox |
| Involatility Index | 0.0006💻 Calculated |
| log Kp (skin permeability) | -1.325💻 Calculated |
| SMILES | CC(CC=C(C)C)CC(C)CO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| Functional Groups | alcoholalkene💻 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: DTXSID401036129
Physical Properties
| Molecular Weight | 170.296 g/mol🔬 EPA CompTox |
| Density | 0.856 g/cm^3🔬 EPA CTX |
| Boiling Point | 241 °C🔬 EPA CTX |
| Melting Point | -12.22 °C📊 OPERA |
| Flash Point | 108 °C🔬 EPA CTX |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 201.785 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.773 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.773 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.773 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.52 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.008 mmHg🔬 EPA CTX |
| Viscosity | 4.134 cP📊 OPERA |
| Surface Tension | 27.114 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.901 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 54.363 cm^3/mol📊 OPERA |
| Polarizability | 21.551 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.
