(2-Butoxyethyl)benzene (CAS 5331-14-6) — Floral Top Note Fragrance Ingredient
(2-Butoxyethyl)benzene
CAS 5331-14-6
What Is (2-Butoxyethyl)benzene?
(2-Butoxyethyl)benzene is a synthetic fragrance ingredient used in household products like air fresheners and cleaning solutions. It contributes to fresh, slightly floral scents. This compound matters because it’s a cost-effective alternative to natural ingredients, though its synthetic nature requires careful formulation to avoid harshness.
Safety Profile
USE WITH AWARENESSWhat Does (2-Butoxyethyl)benzene Smell Like?
(2-Butoxyethyl)benzene presents a clean, slightly floral aroma with subtle green undertones. Initially sharp, it evolves into a softer, soapy character reminiscent of laundry detergents. The dry-down reveals a faintly woody persistence, making it useful for functional fragrances where longevity isn’t critical but freshness is paramount.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fresh top note modifier in laundry detergents for its cost-effective clean scent profile.
Provides the initial burst of freshness in air fresheners before more expensive ingredients take over.
2D Molecular Structure
SMILES: CCCCOCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
(2-Butoxyethyl)benzene is an aromatic ether with a benzene ring connected to a butoxyethyl chain. Synthesized through Williamson ether synthesis, this compound offers stability in alkaline formulations. Its simple structure makes it inexpensive to produce at industrial scales for mass-market products.
Physical & Chemical Properties
| Boiling Point | 220-225 °C |
|---|---|
| Density | 0.94 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Household Cleaners | 1-3% | Up to 5% | Provides initial freshness |
| Air Fresheners | 0.5-2% | Up to 3% | Cost-effective top note |
Classic Accords
Tip: Use in conjunction with citrus notes to brighten functional fragrances.
Alternatives & Comparisons
When more floral character is needed with better stability in formulations.
For similar aromatic profile but with additional preservative properties.
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.
GHS Classification
RIFM Assessment
Not currently evaluated by RIFM.
Sustainability
As a petrochemical derivative, its environmental impact stems from fossil fuel extraction. However, its synthesis is energy-efficient compared to some natural alternatives. Future green chemistry approaches may improve its sustainability profile.
Explore (2-Butoxyethyl)benzene
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References
- PubChem Compound Summary for (2-Butoxyethyl)benzene PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5063784
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 0.923 g/cm^3📊 OPERA |
| Boiling Point | 235.101 °C📊 OPERA |
| Melting Point | -14.646 °C📊 OPERA |
| Flash Point | 95.371 °C📊 OPERA |
| Refractive Index | 1.488 Dimensionless📊 OPERA |
| Molar Volume | 194.64 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.35 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.35 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.35 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.145 mmHg📊 OPERA |
| Viscosity | 3.024 cP📊 OPERA |
| Surface Tension | 32.695 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.777 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 | 6 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 56.079 cm^3/mol📊 OPERA |
| Polarizability | 22.231 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.
