2,6-Nonadienenitrile (CAS 67019-89-0) — Green Top to mid Note Fragrance Ingredient
2,6-Nonadienenitrile
CAS 67019-89-0
What Is 2,6-Nonadienenitrile?
2,6-Nonadienenitrile is a synthetic fragrance molecule used in perfumery to create fresh, green, and cucumber-like scents. It’s often found in modern floral and aquatic fragrances. This ingredient adds a crisp, watery dimension to perfumes, mimicking the smell of freshly cut cucumbers or melons. It’s valued for its ability to bring a natural, refreshing quality to synthetic compositions without relying on plant extracts.
Safety Profile
GENERALLY SAFEWhat Does 2,6-Nonadienenitrile Smell Like?
2,6-Nonadienenitrile bursts with an intensely fresh, green character reminiscent of crushed cucumber skins and watermelon rind. The opening is sharply vegetal with a metallic edge, like dew on cut grass at dawn. As it evolves, the heart reveals a cleaner, more floral aspect – imagine the crispness of a greenhouse filled with blooming alstroemeria. The dry-down retains a whisper of this greenness but softens into a subtle melon-like sweetness, leaving a transparent aquatic trail that lingers surprisingly long for such a fresh material.
2D Molecular Structure
SMILES: CCC=CCCC=CC#N
Chemistry, Properties & Perfumer Guide
The Chemistry
2,6-Nonadienenitrile belongs to the nitrile class of organic compounds, characterized by a carbon-nitrogen triple bond. While not found in nature, its structure mimics certain unsaturated aldehydes that occur in cucumber and melon rinds. Industrially synthesized through hydrocyanation of dienes or dehydration of oximes, this molecule’s conjugated diene system contributes to its distinctive green character. The nitrile group provides stability while maintaining volatility suitable for fragrance use. Its linear structure allows for excellent diffusion, making it particularly useful in modern fresh accords.
Physical & Chemical Properties
| Odor Type | Green, cucumber, melon |
|---|---|
| Molecular Class | Unsaturated nitrile |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Fresh top note component |
| Functional Fragrance | 0.05-0.2% | Up to 0.5% | Green modifier in detergents |
| Cosmetics | 0.01-0.1% | Up to 0.3% | Cucumber/melon effects |
Classic Accords
Tip: Use in trace amounts to add cutting freshness to white florals without overpowering the bouquet.
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 review by RIFM with preliminary data showing no significant concerns at typical usage levels.
Sustainability
As a synthetic material, 2,6-Nonadienenitrile offers consistent quality without agricultural land use. Production typically employs petrochemical feedstocks, though newer synthesis routes may incorporate bio-based intermediates. Its potency allows for low usage rates, reducing overall environmental burden compared to some natural alternatives. Waste streams should be managed for nitrile content.
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Physicochemical Properties
DTXSID: DTXSID1070482
Physical Properties
| Molecular Weight | 135.21 g/mol🔬 EPA CompTox |
| Density | 0.909 g/cm^3📊 OPERA |
| Boiling Point | 212.841 °C📊 OPERA |
| Melting Point | -1.785 °C📊 OPERA |
| Flash Point | 96.348 °C📊 OPERA |
| Refractive Index | 1.467 Dimensionless📊 OPERA |
| Molar Volume | 157.709 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.638 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.638 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.638 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.6 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.169 mmHg📊 OPERA |
| Surface Tension | 29.956 dyn/cm📊 OPERA |
| Thermal Conductivity | 158.572 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 23.79 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 43.774 cm^3/mol📊 OPERA |
| Polarizability | 17.353 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.
