2-Ethyl-1-butanol (CAS 97-95-0) — Sweet Base Note Fragrance Ingredient
2-Ethyl-1-butanol
CAS 97-95-0
What Is 2-Ethyl-1-butanol?
2-Ethyl-1-butanol is a synthetic alcohol used as a solvent and fragrance ingredient. You might encounter it in cleaning products, industrial applications, or as a subtle component in perfumes. This ingredient matters because it contributes to the overall scent profile and performance of fragrance formulations, though it’s not typically a dominant note.
Safety Profile
GENERALLY SAFEWhat Does 2-Ethyl-1-butanol Smell Like?
2-Ethyl-1-butanol has a mild, slightly sweet, and alcoholic odor with faint fruity undertones. It evolves subtly on the skin, starting with a clean, sharp alcohol note that quickly mellows into a soft, barely perceptible sweetness. The dry-down is minimal, leaving almost no trace, making it more useful as a solvent or modifier than as a primary fragrance ingredient.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCC(CC)CO
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Ethyl-1-butanol is a branched-chain primary alcohol. It is purely synthetic, produced through industrial chemical processes rather than being found in nature. The molecule features a six-carbon chain with an ethyl group branching at the second carbon, giving it distinct physical and chemical properties compared to straight-chain alcohols.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Fragrance | 1-3% | Up to 5% | Used as solvent and modifier |
| Cleaning Products | 0.5-2% | Up to 3% | Adds mild freshness |
Classic Accords
Tip: Use as a solvent for other fragrance materials rather than as a primary scent component.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply.
GHS Classification
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic ingredient, 2-Ethyl-1-butanol is produced through petrochemical processes. Its environmental impact is moderate, with concerns about non-renewable sourcing but advantages in consistent quality and purity compared to some natural alternatives.
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Physicochemical Properties
DTXSID: DTXSID2041416
Physical Properties
| Molecular Weight | 102.177 g/mol🔬 EPA CompTox |
| Density | 0.832 g/cm^3🔬 EPA CTX |
| Boiling Point | 146.068 °C🔬 EPA CTX |
| Melting Point | -44.556 °C🔬 EPA CTX |
| Flash Point | 55.417 °C🔬 EPA CTX |
| Refractive Index | 1.414 Dimensionless📊 OPERA |
| Molar Volume | 125.459 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.78 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.648 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.648 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.37 Log10 unitless📊 OPERA |
| Water Solubility | 0.062 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.892 mmHg🔬 EPA CTX |
| Viscosity | 3.581 cP📊 OPERA |
| Surface Tension | 25.696 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.963 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 31.34 cm^3/mol📊 OPERA |
| Polarizability | 12.424 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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