Benzyl isoamyl ether (CAS 122-73-6) — Floral Middle Note Fragrance Ingredient
Benzyl isoamyl ether
CAS 122-73-6
What Is Benzyl isoamyl ether?
Benzyl isoamyl ether is a synthetic fragrance ingredient used in perfumes and scented products. It adds a floral, slightly fruity character to compositions. This molecule is valued for its ability to enhance floral accords while providing stability in formulations.
Safety Profile
GENERALLY SAFEWhat Does Benzyl isoamyl ether Smell Like?
Benzyl isoamyl ether opens with a bright, floral-fruity burst reminiscent of ripe pears dipped in honey. The heart reveals a smooth, slightly powdery floral character akin to heliotrope petals dusted with vanilla sugar. As it dries down, it maintains a soft, sweet persistence with whispers of almond-like warmth. The overall effect is like walking through an orchard where fruit blossoms mingle with the scent of sun-warmed tree bark.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral enhancer to amplify the powdery aspects of the aldehydic bouquet while adding subtle fruity undertones.
Employed to bridge the citrus top notes with vanilla base, creating a smooth transition in this oriental classic.
2D Molecular Structure
SMILES: CC(C)CCOCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl isoamyl ether is an aromatic ether formed through the Williamson ether synthesis between benzyl alcohol and isoamyl alcohol. This synthetic route typically employs strong base conditions to facilitate the nucleophilic substitution. The molecule lacks chiral centers, making it optically inactive. Its stability under acidic conditions makes it particularly useful in fragrance applications where longevity is desired.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~220 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Soap | 0.5-1% | Up to 2% | Stable in alkaline conditions |
Classic Accords
Tip: Use to soften harsh floral notes and add diffusion to white floral compositions.
Alternatives & Comparisons
Provides similar floral-powdery effects with greater stability and lower volatility.
Offers comparable fruity-floral aspects with additional green nuances.
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
No RIFM assessment currently available for this material.
Sustainability
As a synthetic material, benzyl isoamyl ether production avoids agricultural impacts but requires petrochemical feedstocks. Modern manufacturing processes aim to minimize waste and energy consumption. The material’s stability contributes to product longevity, potentially reducing overall fragrance usage.
Explore Benzyl isoamyl ether
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7047439
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 0.924 g/cm^3📊 OPERA |
| Boiling Point | 237 °C🔬 EPA CTX |
| Melting Point | -14.187 °C📊 OPERA |
| Flash Point | 93.868 °C📊 OPERA |
| Refractive Index | 1.486 Dimensionless📊 OPERA |
| Molar Volume | 195.017 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.375 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.375 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.375 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.179 mmHg📊 OPERA |
| Viscosity | 3.076 cP📊 OPERA |
| Surface Tension | 31.783 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.3 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 56.037 cm^3/mol📊 OPERA |
| Polarizability | 22.215 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.
