2-Ethyl-1-hexanol (CAS 104-76-7) — Sweet Base Note Fragrance Ingredient
2-Ethyl-1-hexanol
CAS 104-76-7
What Is 2-Ethyl-1-hexanol?
2-Ethyl-1-hexanol is a synthetic alcohol used as a fixative in perfumes and a precursor for plasticizers. It’s found in some cosmetics and industrial products. While not a dominant fragrance note itself, it helps stabilize other scents and modify their diffusion properties.
Safety Profile
GENERALLY SAFEWhat Does 2-Ethyl-1-hexanol Smell Like?
This synthetic alcohol presents a faintly sweet, slightly floral odor with waxy undertones. Its scent profile is subtle rather than pronounced – imagine the distant memory of a candle’s paraffin base blended with the ghost of a lily stem. The volatility is moderate, acting as a quiet bridge between top and middle notes without calling attention to itself.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used in trace amounts to help stabilize the legendary aldehyde accord without contributing its own scent character.
2D Molecular Structure
SMILES: CCCCC(CC)CO
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Ethyl-1-hexanol is a branched-chain fatty alcohol produced via the aldol condensation of n-butyraldehyde followed by hydrogenation. Its structure features both hydrophilic (-OH) and hydrophobic (alkyl chain) regions, making it useful as a surfactant intermediate. The molecule lacks chirality but shows typical alcohol reactivity patterns.
Physical & Chemical Properties
| Boiling Point | 184-185 °C |
|---|---|
| Density | 0.833 g/cm³ |
| Flash Point | 81 °C |
| Vapor Pressure | 0.08 mmHg at 20°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional Fragrances | 1-3% | Up to 5% | As fixative |
| Industrial Scents | 5-10% | Up to 15% | Plasticizer precursor |
Classic Accords
Tip: Use to extend longevity of citrus top notes without adding heaviness.
Alternatives & Comparisons
Similar chain length alcohol with slightly different branching pattern, offering comparable fixative properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM has evaluated this material as safe for current fragrance use levels.
Sustainability
Produced from petrochemical feedstocks via energy-intensive processes. Some manufacturers are exploring bio-based routes using fermentation-derived butyraldehyde.
Explore 2-Ethyl-1-hexanol
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References
- PubChem Compound Summary for CID 7720 PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5020605
Physical Properties
| Molecular Weight | 130.231 g/mol🔬 EPA CompTox |
| Density | 0.832 g/cm^3🔬 EPA CTX |
| Boiling Point | 184.203 °C🔬 EPA CTX |
| Melting Point | -68.639 °C🔬 EPA CTX |
| Flash Point | 77.201 °C🔬 EPA CTX |
| Refractive Index | 1.426 Dimensionless📊 OPERA |
| Molar Volume | 158.472 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.813 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.705 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.705 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.77 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.274 mmHg🔬 EPA CTX |
| Viscosity | 4.117 cP📊 OPERA |
| Surface Tension | 26.956 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.011 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.605 cm^3/mol📊 OPERA |
| Polarizability | 16.097 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.
