2,6-Dimethyloct-7-en-4-one (CAS 1879-00-1) — Green Top to middle Note Fragrance Ingredient
2,6-Dimethyloct-7-en-4-one
CAS 1879-00-1
What Is 2,6-Dimethyloct-7-en-4-one?
2,6-Dimethyloct-7-en-4-one is a synthetic fragrance ingredient used to add fresh, green, and slightly woody notes to perfumes and scented products. You’ll encounter it in modern floral and citrus fragrances, often as a supporting note. This molecule matters because it helps create crisp, natural-smelling accords despite being lab-created, offering perfumers a sustainable alternative to some plant-derived materials.
Safety Profile
USE WITH AWARENESSWhat Does 2,6-Dimethyloct-7-en-4-one Smell Like?
A vibrant chameleon of a molecule – first bursting with the crispness of crushed green stems and unripe citrus zest, then softening into a dewy floralcy reminiscent of lily petals at dawn. The dry-down reveals an unexpected warmth, like sun-warmed cedarwood with a whisper of salty skin musk. Its tenacious green character makes it particularly useful for creating ‘living’ floral effects that avoid candied sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the naturalistic green facets of violet leaf, creating that iconic ‘just-cut lawn’ freshness that defines this classic fougère.
Provides the shimmering green top note that mimics the tartness of unripe mango, crucial to Ellena’s minimalist watercolor aesthetic.
2D Molecular Structure
SMILES: CC(C)CC(=O)CC(C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
An aliphatic ketone with an unsaturated carbon chain, 2,6-dimethyloct-7-en-4-one belongs to the family of green odorants structurally related to leaf alcohols. Industrial synthesis typically involves Grignard reactions followed by selective oxidation. The molecule’s stereochemistry significantly impacts its odor profile – the (R)-enantiomer exhibits sharper green notes while the (S)-form leans more floral.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 210-215 °C (estimated) |
| Density | ~0.86 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green note modifier |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Stabilize in ethanol before adding to oil phases to prevent precipitation.
Alternatives & Comparisons
When a longer-lasting green effect is needed, though slightly more metallic in character.
For sharper green-leaf effects, but lacks the floral depth of dimethyloctenone.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed on IFRA Transparency List with no usage limitations.
RIFM Assessment
Under review by RIFM as of 2023. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, production avoids agricultural land use and seasonal variability. Current synthesis routes use petrochemical feedstocks, though bio-based production methods are under development. Biodegradation studies show moderate environmental persistence.
Explore 2,6-Dimethyloct-7-en-4-one
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References
- Brenna et al. (2012). Stereochemistry and odor perception. Flavour and Fragrance Journal. DOI:10.1002/ffj.2105
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID70883766
Physical Properties
| Molecular Weight | 154.253 g/mol🔬 EPA CompTox |
| Density | 0.826 g/cm^3📊 OPERA |
| Boiling Point | 193.373 °C📊 OPERA |
| Melting Point | -16.783 °C📊 OPERA |
| Flash Point | 61.107 °C📊 OPERA |
| Refractive Index | 1.429 Dimensionless📊 OPERA |
| Molar Volume | 186.57 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.981 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.981 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.981 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.44 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.52 mmHg📊 OPERA |
| Viscosity | 0.978 cP📊 OPERA |
| Surface Tension | 25.798 dyn/cm📊 OPERA |
| Thermal Conductivity | 128.083 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 48.05 cm^3/mol📊 OPERA |
| Polarizability | 19.048 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.
