Methyl phenethyl ether (CAS 3558-60-9) — Floral Top to middle Note Fragrance Ingredient
Methyl phenethyl ether
CAS 3558-60-9
What Is Methyl phenethyl ether?
Methyl phenethyl ether is a synthetic fragrance ingredient that adds a delicate floral-herbal character to perfumes and scented products. You’ll encounter it in fine fragrances, soaps, and candles where a soft, natural rose-like note is desired. This molecule matters because it provides perfumers with a stable, cost-effective alternative to natural floral extracts, allowing for consistent scent profiles in mass-market products while avoiding the variability of botanical sources.
Safety Profile
GENERALLY SAFEWhat Does Methyl phenethyl ether Smell Like?
Methyl phenethyl ether unfolds with a crisp, dewy green top note reminiscent of crushed rose stems, evolving into a soft floral heart with hints of honeyed tea roses and a whisper of herbal freshness. The dry-down reveals a subtle powdery texture akin to vintage face powder, with a clean, slightly sweet persistence that lingers close to the skin. Unlike heavier rose compounds, it maintains an airy quality – imagine rose petals floating in a bowl of spring water with a faint medicinal edge that prevents cloying sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the dewy freshness of rose centifolia, providing a crisp counterpoint to the jammy aspects while maintaining transparency in this modern rose soliflore.
Contributes to the unconventional rose interpretation, bridging the spicy cumin and smoky cedar with its clean floral-herbal character that prevents the composition from becoming too heavy.
2D Molecular Structure
SMILES: COCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl phenethyl ether belongs to the aromatic ether class, synthesized through Williamson ether synthesis by reacting phenethyl alcohol with methyl halides under basic conditions. The molecule features a benzene ring connected to an ethoxy group (-O-CH2-CH3), creating its distinctive floral-herbal odor profile. Unlike its phenolic analogs, the ether linkage provides greater stability against oxidation while maintaining sufficient volatility for top-note applications. The absence of hydroxyl groups makes it less polar than phenethyl alcohol, contributing to its different scent character and performance.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | 198-200 °C |
| Density | 0.95-0.98 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Floral modifier |
| Soap | 0.1-0.5% | Up to 1% | Stable in alkaline media |
Classic Accords
Tip: Use to lift heavy floral bases without adding sweetness – particularly effective in rose chypres where you want to maintain dryness.
Alternatives & Comparisons
When more honeyed rose character is needed, though less stable in alkaline products and more polar in formulation behavior.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply (as of 51st Amendment).
RIFM Assessment
Evaluated by RIFM in 2018 with no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, methyl phenethyl ether avoids agricultural land use associated with natural rose production. Its efficient synthesis from petrochemical precursors results in lower carbon footprint than rose absolute production, though dependent on fossil fuel inputs. Future green chemistry routes could utilize bio-based phenethyl alcohol.
Explore Methyl phenethyl ether
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References
- Bauer et al. (2001). Ether Fragrance Materials. Perfumer & Flavorist.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 3558-60-9Physical Properties
| Molecular Weight | 136.19 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.2🔬 PubChem |
| Boiling Point | 185 °C🔬 EPA CompTox |
| Flash Point | 68 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.969💻 Calculated |
| SMILES | COCCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralgreenjasminerose• leffingwell |
| Functional Groups | etheraromatic💻 RDKit |
| “Very powerful, diffusive and penetrating odor, warm-floral, but when undiluted rather "gassy"-pungent. In dilution Jasmin-Tuberose-like, floral, sweet. In extreme dilution the odor is even slightly rosy.”📖 Arctander | |
| Methyl phenethyl ether has a powerful, diffusive and penetrating odor with a warm, floral note; “grassy” and pungent on dilution.📖 Fenaroli | |
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: DTXSID1052032
Physical Properties
| Molecular Weight | 136.194 g/mol🔬 EPA CompTox |
| Density | 0.963 g/cm^3🔬 EPA CTX |
| Boiling Point | 187.167 °C🔬 EPA CTX |
| Melting Point | -24.534 °C📊 OPERA |
| Flash Point | 57.538 °C🔬 EPA CTX |
| Refractive Index | 1.493 Dimensionless📊 OPERA |
| Molar Volume | 145.12 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.548 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.197 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.197 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.111 mmHg📊 OPERA |
| Viscosity | 1.91 cP📊 OPERA |
| Surface Tension | 32.57 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.886 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 | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 42.18 cm^3/mol📊 OPERA |
| Polarizability | 16.722 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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