3,7-Dimethyl-2,6-nonadienenitrile (CAS 61792-11-8) — Citrus Top Note Fragrance Ingredient
3,7-Dimethyl-2,6-nonadienenitrile
CAS 61792-11-8
What Is 3,7-Dimethyl-2,6-nonadienenitrile?
3,7-Dimethyl-2,6-nonadienenitrile is a synthetic fragrance ingredient that creates fresh, green, and citrusy notes. You’ll find it in modern perfumes, especially those aiming for crisp, natural-smelling top notes. This molecule matters because it can mimic expensive natural ingredients at a fraction of the cost, making fresh fragrances more accessible while maintaining quality.
Safety Profile
USE WITH AWARENESSWhat Does 3,7-Dimethyl-2,6-nonadienenitrile Smell Like?
Opens with a burst of dewy citrus peel and crushed green leaves, like walking through a lemon grove at dawn. The heart develops into a crisp, slightly floral cucumber-water freshness with a subtle woody undertone. Dry-down reveals a clean, musky-amber base that lingers close to the skin. The overall effect is like a freshly cut galbanum stem blended with bergamot zest – intensely fresh yet sophisticated.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a crisp top note enhancer that amplifies the citrusy aspects of magnolia while adding green depth. Creates the illusion of crushed leaves beneath the floral bouquet.
Provides the sparkling green-citrus signature that distinguishes this flanker from the original Chance. Works synergistically with pink pepper for a dewy freshness.
2D Molecular Structure
SMILES: CCC(C)=CCCC(C)=CC#N
Chemistry, Properties & Perfumer Guide
The Chemistry
3,7-Dimethyl-2,6-nonadienenitrile belongs to the nitrile class of fragrance compounds, prized for their stability and resistance to oxidation. While not found in nature, its structure mimics terpenoid compounds from citrus and green plants. Synthesized via hydrocyanation of myrcene derivatives, this molecule’s conjugated nitrile group contributes to its fresh-green odor profile. The branched hydrocarbon chain enhances volatility, making it ideal for top notes.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~220 °C (estimated) |
| Density | ~0.86 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note component |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Green-citrus modifier |
Classic Accords
Tip: Use with citrus oils to extend their freshness and prevent rapid top note evaporation.
Alternatives & Comparisons
For a rosier, less green citrus character with similar stability. Better for floral compositions needing citrus lift.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Listed on IFRA 49th Amendment as safe for use within standard limits.
GHS Classification
RIFM Assessment
RIFM assessment completed in 2018 – safe at current industry usage levels with margin of safety.
Sustainability
Synthetic production reduces pressure on natural resources. Manufacturing process optimized for minimal waste. Being nitrile-based, it’s more stable than aldehyde alternatives, extending fragrance lifespan.
Explore 3,7-Dimethyl-2,6-nonadienenitrile
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 61792-11-8Physical Properties
| Molecular Weight | 163.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.7🔬 PubChem |
| Boiling Point | 246.9 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0128 mmHg @ 25°C📊 OPERA |
| Flash Point | 78 °C🔬 EPA CompTox |
| Involatility Index | 0.0011💻 Calculated |
| log Kp (skin permeability) | -1.069💻 Calculated |
| SMILES | CCC(=CCCC(=CC#N)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusgreen• leffingwell |
| Functional Groups | alkene💻 RDKit |
| “The odor can be a~proached with ~somewhat lower ratio of the Nitrile, but the natural Lemon-sweetness must be obtained CIOH16N= 149.24 from other chemicals. ony-fresh odor with some resemblance to that 2) from Geranyl chloride and Sodium cyani- of Citral, but overall harsher, not as sweet and de. Faintly rosy, but overall fatty-acetic odor, remotely reminiscent of Acetic acid.”📖 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: DTXSID1052296
Physical Properties
| Molecular Weight | 163.264 g/mol🔬 EPA CompTox |
| Density | 0.864 g/cm^3🔬 EPA CTX |
| Boiling Point | 246.85 °C🔬 EPA CTX |
| Melting Point | 39.399 °C📊 OPERA |
| Flash Point | 78 °C🔬 EPA CTX |
| Refractive Index | 1.466 Dimensionless📊 OPERA |
| Molar Volume | 190.325 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.237 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.237 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.237 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.81 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.013 mmHg🔬 EPA CTX |
| Surface Tension | 29.199 dyn/cm📊 OPERA |
| Thermal Conductivity | 147.489 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 | 52.725 cm^3/mol📊 OPERA |
| Polarizability | 20.902 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.
