1-Decen-4-yne (CAS 24948-66-1) — Green Top Note Fragrance Ingredient
1-Decen-4-yne
CAS 24948-66-1
What Is 1-Decen-4-yne?
1-Decen-4-yne is a synthetic fragrance ingredient used to add green, metallic nuances to modern perfumes. You’ll encounter it in avant-garde fragrances and certain household cleaners. While rare, it matters because it provides a sharp, diffusive quality that helps lift other notes, especially in fresh, aquatic, or futuristic compositions.
Safety Profile
USE WITH AWARENESSWhat Does 1-Decen-4-yne Smell Like?
1-Decen-4-yne delivers a piercing green character reminiscent of crushed stems with an underlying metallic twang like freshly unrolled aluminum foil. The initial burst is intensely sharp, evolving into a cleaner, more ethereal quality over time. In drydown, it leaves behind a whisper of cucumber-like freshness, making it useful for modern aquatic accords.
2D Molecular Structure
SMILES: CCCCCC#CCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Decen-4-yne is an unsaturated aliphatic hydrocarbon with both a double and triple bond. This unique structure creates high reactivity and distinctive odor properties. While not found in nature, it can be synthesized through controlled acetylene chemistry or as a byproduct of certain petrochemical processes. The molecule’s linear shape contributes to its excellent diffusion.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used sparingly for lift |
| Functional Products | 0.01-0.1% | Up to 0.3% | Freshness booster |
Classic Accords
Tip: Use in trace amounts to prevent overwhelming compositions with its metallic sharpness.
Alternatives & Comparisons
For similar green effects but with more cucumber-like character and better substantivity.
Natural alternative providing green notes with less metallic harshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Monitor for future amendments due to structural alerts.
GHS Classification
RIFM Assessment
No RIFM assessment available. Treat as potential sensitizer until data exists.
Sustainability
As a synthetic petrochemical derivative, 1-Decen-4-yne has higher environmental impact than natural alternatives. However, its extreme potency means very small quantities are needed. Future green chemistry routes may improve sustainability.
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Physicochemical Properties
DTXSID: DTXSID70401909
Physical Properties
| Molecular Weight | 136.238 g/mol🔬 EPA CompTox |
| Density | 0.783 g/cm^3📊 OPERA |
| Boiling Point | 167.812 °C📊 OPERA |
| Melting Point | -87.649 °C📊 OPERA |
| Flash Point | 44.57 °C📊 OPERA |
| Refractive Index | 1.449 Dimensionless📊 OPERA |
| Molar Volume | 172.002 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.431 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.431 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.431 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.041 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 2.749 mmHg📊 OPERA |
| Viscosity | 0.742 cP📊 OPERA |
| Surface Tension | 26.241 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.505 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 | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 46.108 cm^3/mol📊 OPERA |
| Polarizability | 18.279 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.
