Benzyl methyl ether (CAS 538-86-3) — Floral Top Note Fragrance Ingredient
Benzyl methyl ether
CAS 538-86-3
What Is Benzyl methyl ether?
Benzyl methyl ether is a synthetic aromatic compound used in perfumery. It’s found in some floral and herbal fragrances. This ingredient adds a subtle sweet and ethereal quality to scents, often used to enhance floral bouquets without overpowering them.
Safety Profile
GENERALLY SAFEWhat Does Benzyl methyl ether Smell Like?
Benzyl methyl ether presents a delicate, sweet aroma with ethereal floral undertones. Its scent evolves subtly, starting with a light, airy sweetness that gradually reveals soft herbal nuances. The dry-down is clean and slightly powdery, reminiscent of faintly scented antique linens.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a subtle modifier to enhance the floral bouquet, adding ethereal sweetness without overpowering the composition.
Employed to bridge the gap between citrus top notes and vanilla base, creating seamless transitions.
2D Molecular Structure
SMILES: COCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl methyl ether is an aromatic ether derived from benzyl alcohol. It’s synthesized through Williamson ether synthesis, reacting benzyl chloride with sodium methoxide. The compound’s simple structure contributes to its volatility and subtle scent profile.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Soap | 0.5-1% | Up to 2% | Light floral accent |
Classic Accords
Tip: Use sparingly to add ethereal sweetness without dominating the composition.
Alternatives & Comparisons
When a more pronounced floral character is desired with slightly less volatility.
For a similar ethereal quality with a touch of anisic character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No specific safety concerns identified by RIFM at typical usage levels.
Sustainability
Synthetically produced with standard petrochemical feedstocks. No known significant environmental concerns at current usage levels in fragrance industry.
Explore Benzyl methyl ether
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References
- PubChem: Benzyl methyl ether PubChem CID
- Arctander, S. (1969). Perfume and Flavor Chemicals.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 538-86-3Physical Properties
| Molecular Weight | 122.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 174 °C🔬 EPA CompTox |
| Vapor Pressure | 1.66 mmHg @ 25°C📊 OPERA |
| Flash Point | 36.4 °C🔬 EPA CompTox |
| Involatility Index | 0.1619💻 Calculated |
| log Kp (skin permeability) | -2.096💻 Calculated |
| SMILES | COCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruitymetallicrose• leffingwell |
| Functional Groups | etheraromatic💻 RDKit |
| “Peculiar, rather sharp-metallic, fruity-rosy odor of poor tenacity.”📖 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: DTXSID5060227
Physical Properties
| Molecular Weight | 122.167 g/mol🔬 EPA CompTox |
| Density | 0.94 g/cm^3🔬 EPA CTX |
| Boiling Point | 172 °C🔬 EPA CTX |
| Melting Point | -52.651 °C🔬 EPA CTX |
| Flash Point | 46.372 °C📊 OPERA |
| Refractive Index | 1.496 Dimensionless📊 OPERA |
| Molar Volume | 128.613 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.857 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.022 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.022 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.025 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.66 mmHg🔬 EPA CTX |
| Viscosity | 1.371 cP📊 OPERA |
| Surface Tension | 31.771 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.886 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 | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 37.547 cm^3/mol📊 OPERA |
| Polarizability | 14.885 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.
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