2,6-Dimethylocta-2,4,6-triene (CAS 673-84-7) — Green Top Note Fragrance Ingredient
2,6-Dimethylocta-2,4,6-triene
CAS 673-84-7
What Is 2,6-Dimethylocta-2,4,6-triene?
2,6-Dimethylocta-2,4,6-triene is a synthetic fragrance ingredient with a fresh, green, and slightly woody character. It’s often used in modern perfumery to add crisp top notes. This molecule matters because it can mimic natural green aromas while offering superior stability and consistency compared to plant extracts.
Safety Profile
GENERALLY SAFEWhat Does 2,6-Dimethylocta-2,4,6-triene Smell Like?
This molecule opens with a burst of crisp greenness reminiscent of freshly crushed leaves, evolving into a delicate woody undertone. The dry-down reveals subtle citrusy facets that linger close to the skin. Imagine the first snap of a green twig blending with the faintest whisper of grapefruit peel – vibrant yet transparent, never overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modern green note substitute to recreate the original’s galbanum effect with better stability.
Provides crisp top notes that complement the violet leaf and iris heart.
Adds an abstract green quality to the mango and grapefruit opening.
2D Molecular Structure
SMILES: CC=C(C)C=CC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2,6-Dimethylocta-2,4,6-triene belongs to the class of polyunsaturated hydrocarbons. While not found in nature, its structure mimics certain terpenoid fragments. Synthesized through Wittig-type reactions or from myrcene derivatives, this conjugated triene system offers excellent oxidative stability compared to natural green materials. The trans configuration at the 4,6 double bonds is crucial for its characteristic odor profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green top note enhancer |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Use with citrus materials to prevent excessive sharpness in the top notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
Under evaluation by RIFM as of 2023.
Sustainability
As a synthetic material, this ingredient offers consistent quality without agricultural land use. Production typically uses petrochemical feedstocks, though bio-based routes are being explored. Its efficiency means lower usage rates compared to natural alternatives.
Explore 2,6-Dimethylocta-2,4,6-triene
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 673-84-7Physical Properties
| Molecular Weight | 136.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.2🔬 PubChem |
| Boiling Point | 188 °C🔬 EPA CompTox |
| Vapor Pressure | 2.5119 mmHg @ 25°C📊 OPERA |
| Flash Point | 51.8 °C🔬 EPA CompTox |
| Involatility Index | 0.2319💻 Calculated |
| log Kp (skin permeability) | -0.549💻 Calculated |
| SMILES | CC=C(C)C=CC=C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusgreen• leffingwell |
| Functional Groups | alkene💻 RDKit |
| “Diffusive, fresh-gassy, herbaceous odor. The gassy notes are more predominant in poorer grades of Allo-ocimene, almost imperceptible in good grade matl.”📖 Arctander | |
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: DTXSID4027288
Physical Properties
| Molecular Weight | 136.238 g/mol🔬 EPA CompTox |
| Density | 0.788 g/cm^3📊 OPERA |
| Boiling Point | 188 °C🔬 EPA CTX |
| Melting Point | -28 °C🔬 EPA CTX |
| Flash Point | 48.794 °C📊 OPERA |
| Refractive Index | 1.466 Dimensionless📊 OPERA |
| Molar Volume | 174.05 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.098 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.098 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.098 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.44 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0.021 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 2.68 mmHg📊 OPERA |
| Viscosity | 0.545 cP📊 OPERA |
| Surface Tension | 22.846 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.381 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 48.236 cm^3/mol📊 OPERA |
| Polarizability | 19.122 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.
![(4-Ethylbicyclo[2.2.1]hept-2-yl)-cyclohexanol (CAS 92046-48-5) — Woody Base Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/unnamed-file-115-768x439.webp)