9-Undecenenitrile, (E)- (CAS 131379-26-5) — Green Top Note Fragrance Ingredient
9-Undecenenitrile, (E)-
CAS 131379-26-5
What Is 9-Undecenenitrile, (E)-?
9-Undecenenitrile, (E)- is a synthetic fragrance ingredient used to add fresh, green, and slightly metallic nuances to perfumes. It’s found in modern floral and citrus fragrances. This nitrile compound is valued for its stability and ability to enhance longevity while providing a clean, modern olfactory signature.
Safety Profile
GENERALLY SAFEWhat Does 9-Undecenenitrile, (E)- Smell Like?
A crisp, green note with a sharp metallic edge reminiscent of crushed leaves and unripe fruits. The initial burst evolves into a cleaner, more subdued character over time, leaving a faintly woody trail. Imagine the scent of a freshly cut cucumber peel blended with a whisper of wet stones.
2D Molecular Structure
SMILES: C\C=C\CCCCCCCC#N
Chemistry, Properties & Perfumer Guide
The Chemistry
9-Undecenenitrile, (E)- is an unsaturated nitrile with an eleven-carbon chain. Its synthesis typically involves hydrocyanation of undecenal precursors. The trans configuration (E)- contributes to its stability and odor profile. Nitriles like this are prized in perfumery for their resistance to oxidation compared to aldehydes.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds modern green accents |
| Functional Fragrances | 0.1-1% | Up to 3% | Provides freshness in cleaners |
Classic Accords
Tip: Use sparingly to avoid overpowering metallic character in floral compositions.
Alternatives & Comparisons
Similar green character but less metallic. Used when a softer effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic material, production involves petrochemical precursors. Energy efficient catalytic processes are typically employed. No known environmental accumulation issues.
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Physicochemical Properties
DTXSID: DTXSID60888942
Physical Properties
| Molecular Weight | 165.28 g/mol🔬 EPA CompTox |
| Density | 0.848 g/cm^3📊 OPERA |
| Boiling Point | 257.647 °C📊 OPERA |
| Melting Point | -16.838 °C📊 OPERA |
| Flash Point | 113.79 °C📊 OPERA |
| Refractive Index | 1.45 Dimensionless📊 OPERA |
| Molar Volume | 197.107 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.489 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.489 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.489 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.016 mmHg📊 OPERA |
| Viscosity | 2.636 cP📊 OPERA |
| Surface Tension | 30.206 dyn/cm📊 OPERA |
| Thermal Conductivity | 158.799 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 | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 52.982 cm^3/mol📊 OPERA |
| Polarizability | 21.004 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.
