2,6-Dimethyl-2,4,6-octatriene (CAS 3016-19-1) — Green Top to middle Note Fragrance Ingredient
2,6-Dimethyl-2,4,6-octatriene
CAS 3016-19-1
What Is 2,6-Dimethyl-2,4,6-octatriene?
2,6-Dimethyl-2,4,6-octatriene is a synthetic fragrance ingredient used to add green, woody, and slightly citrusy nuances to perfumes. It’s found in modern floral and chypre compositions. This molecule helps create crisp, naturalistic top notes that evoke fresh-cut stems and sun-warmed leaves, bridging floral and woody accords in contemporary perfumery.
Safety Profile
USE WITH AWARENESSWhat Does 2,6-Dimethyl-2,4,6-octatriene Smell Like?
A vibrant, green-woody molecule with surprising complexity. Opens with a sharp, almost citrus-tinged freshness reminiscent of snapping green twigs, evolving into a heart of damp forest undergrowth with subtle floral undertones. The dry-down reveals a dry, papery woodiness akin to freshly planed cedar, leaving a clean, slightly peppery trail. Exceptionally diffusive in the first hour before settling into a skin-hugging base.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a green top note enhancer to amplify the crushed-leaf effect in this groundbreaking green floral, adding dimensionality to the galbanum core.
Provides a crisp, stem-like counterpoint to the citrus-herbal opening, reinforcing the fragrance’s naturalistic freshness.
2D Molecular Structure
SMILES: C\C=C(/C)\C=C\C=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
A conjugated triene hydrocarbon with methyl groups at positions 2 and 6. Synthesized through Wittig reactions or dehydration of corresponding alcohols. The extended conjugated system contributes to its green odor character and moderate volatility. Lacks chiral centers but exists as E/Z isomers that influence odor profile.
Physical & Chemical Properties
| Boiling Point | Estimated 180-200°C |
|---|---|
| Density | ~0.85 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green modifier |
| Functional | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Stabilize in ethanol solutions to prevent oxidative degradation of the triene system.
Alternatives & Comparisons
More floral-green with better stability, though less woody depth. Preferred for lily-of-the-valley reconstructions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Listed as safe under Amendment 49.
RIFM Assessment
Under evaluation as of 2023. Preliminary data suggests low sensitization potential.
Sustainability
Petroleum-derived synthesis raises carbon footprint concerns. Some producers are exploring bio-based routes using terpene feedstocks. Not biodegradable due to hydrocarbon structure.
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References
- Arctander S. (1969). Perfume and Flavor Chemicals. Steffen Arctander.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 3016-19-1Physical 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 |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | herbal• leffingwell |
| “Commercial product is a mixture of stereo- Diffusive, fresh-gassy, herbaceous odor. &H3 Useful in low-cost fragrances for industrial purposes, and in general as a lifting topnote, CIOHIO= 136.24 modifier for Limonene, etc. the odor of sawdust. Also interesting as a compo- nent of low-cost industrial fragrances.”📖 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: DTXSID00883936
Physical Properties
| Molecular Weight | 136.238 g/mol🔬 EPA CompTox |
| Density | 0.786 g/cm^3📊 OPERA |
| Boiling Point | 179.13 °C📊 OPERA |
| Melting Point | -35.4 °C🔬 EPA CTX |
| Flash Point | 51.875 °C🔬 EPA CTX |
| 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.
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