sec-Butyl ethyl ether (CAS 2679-87-0) — Citrus Top Note Fragrance Ingredient
sec-Butyl ethyl ether
CAS 2679-87-0
What Is sec-Butyl ethyl ether?
sec-Butyl ethyl ether is a synthetic compound occasionally used in perfumery for its ethereal, slightly fruity character. While not common in consumer products, it may appear in niche fragrances seeking unusual volatile top notes. This ingredient matters because it demonstrates how synthetic chemistry expands perfumers’ palettes beyond natural sources.
Safety Profile
GENERALLY SAFEWhat Does sec-Butyl ethyl ether Smell Like?
A volatile whisper of fermented apples and surgical cleanliness, sec-butyl ethyl ether opens with sharp solvent-like brightness that quickly settles into a diffuse fruitiness reminiscent of unripe pears soaked in rubbing alcohol. The fleeting nature makes it useful for creating ‘ghost notes’ – impressions that vanish before they can be fully identified, adding intrigue to citrus or green accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used at 0.5% to create an elusive ‘ink drying on glass’ effect in the opening, enhancing the fragrance’s laboratory aesthetic without detectable sweetness.
2D Molecular Structure
SMILES: CCOC(C)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
As a simple dialkyl ether, sec-butyl ethyl ether belongs to a class of compounds prized for high volatility and low odor detection thresholds. Industrial synthesis typically involves Williamson ether synthesis between sec-butanol and ethyl halides. The sec-butyl group introduces subtle stereochemical considerations – the chiral center may influence how the molecule interacts with olfactory receptors compared to its straight-chain isomer.
Physical & Chemical Properties
| Boiling Point | 92-94°C |
|---|---|
| Vapor Pressure | ~60 mmHg at 20°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Niche Perfumery | 0.1-0.5% | Up to 1% | For transitory effects only |
Classic Accords
Tip: Use minutest quantities in dropper bottles – this material can overwhelm a blend at surprisingly low concentrations.
Alternatives & Comparisons
More pronounced ethereal character but highly flammable and restricted in many markets.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed on TSCA inventory.
GHS Classification
RIFM Assessment
No RIFM safety assessment found – recommended for professional use only given limited toxicological data.
Sustainability
Petroleum-derived synthesis raises carbon footprint concerns. Some green chemistry approaches using bio-based alcohols are theoretically possible but not commercially implemented for this specialty material.
Explore sec-Butyl ethyl ether
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References
- PubChem Compound Summary for sec-Butyl ethyl ether PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2679-87-0Physical Properties
| Molecular Weight | 102.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.8🔬 PubChem |
| Boiling Point | 81 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.045💻 Calculated |
| SMILES | CCC(C)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | berryetherealfreshfruity• leffingwell |
| Functional Groups | ether💻 RDKit |
Regulatory Status
| IOFI Classification | Nature Identical📖 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: DTXSID30863009
Physical Properties
| Molecular Weight | 102.177 g/mol🔬 EPA CompTox |
| Density | 0.772 g/cm^3📊 OPERA |
| Boiling Point | 81 °C🔬 EPA CTX |
| Melting Point | -105.57 °C📊 OPERA |
| Flash Point | -2.813 °C📊 OPERA |
| Refractive Index | 1.386 Dimensionless📊 OPERA |
| Molar Volume | 134.315 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.767 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.767 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.767 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.1 Log10 unitless📊 OPERA |
| Water Solubility | 0.078 mol/L📊 OPERA |
| Henry's Law Constant | 0.002 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 99.135 mmHg📊 OPERA |
| Viscosity | 0.431 cP📊 OPERA |
| Surface Tension | 20.611 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.2 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 | 0 count💻 Computed |
| Molar Refractivity | 31.55 cm^3/mol📊 OPERA |
| Polarizability | 12.507 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.
