Ethylene glycol monobutyl ether (CAS 111-76-2) — Sweet N/A Note Fragrance Ingredient
Ethylene glycol monobutyl ether
CAS 111-76-2
What Is Ethylene glycol monobutyl ether?
Ethylene glycol monobutyl ether is a synthetic solvent used in industrial and household cleaning products. It helps dissolve oils and greases. While not commonly found in consumer fragrances, it may appear in some specialty formulations. Its use requires careful handling due to potential health effects.
Safety Profile
PROFESSIONAL USEWhat Does Ethylene glycol monobutyl ether Smell Like?
Ethylene glycol monobutyl ether has a mild, somewhat sweet odor with a faintly chemical character. It lacks the complexity of traditional fragrance ingredients, presenting more as a functional solvent than a perfumery note. Its odor profile is linear, without significant evolution over time, and tends to remain in the background when used in formulations.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCCCOCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethylene glycol monobutyl ether is a glycol ether with the formula C6H14O2. It is produced through the reaction of ethylene oxide with butanol. This class of compounds is valued for their solvent properties, particularly in industrial applications where they serve as coupling agents between water and organic materials.
Physical & Chemical Properties
| Boiling Point | 171 °C |
|---|---|
| Density | 0.90 g/cm³ |
| Flash Point | 60 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | N/A | N/A | Primarily used as solvent |
Classic Accords
Tip: Not recommended for perfumery use.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not regulated by IFRA for fragrance use.
GHS Classification
RIFM Assessment
Not assessed by RIFM for fragrance use.
Sustainability
Industrial production raises environmental concerns due to petrochemical sourcing and potential toxicity. Proper disposal and handling are essential to minimize ecological impact.
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Physicochemical Properties
DTXSID: DTXSID1024097
Physical Properties
| Molecular Weight | 118.176 g/mol🔬 EPA CompTox |
| Density | 0.9 g/cm^3🔬 EPA CTX |
| Boiling Point | 170.47 °C🔬 EPA CTX |
| Melting Point | -70.21 °C🔬 EPA CTX |
| Flash Point | 62.091 °C🔬 EPA CTX |
| Refractive Index | 1.418 Dimensionless📊 OPERA |
| Molar Volume | 131.444 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.859 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.802 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.802 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.9 Log10 unitless📊 OPERA |
| Water Solubility | 1.316 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 5.643 mmHg🔬 EPA CTX |
| Viscosity | 3.997 cP📊 OPERA |
| Surface Tension | 28.976 dyn/cm📊 OPERA |
| Thermal Conductivity | 157.141 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 33.126 cm^3/mol📊 OPERA |
| Polarizability | 13.132 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.
