2-Methyl-2-butanol (CAS 75-85-4) — Woody Top Note Fragrance Ingredient
2-Methyl-2-butanol
CAS 75-85-4
What Is 2-Methyl-2-butanol?
2-Methyl-2-butanol is a synthetic alcohol used as a solvent and fragrance ingredient. It’s found in some cleaning products and industrial applications. While not common in fine fragrances, it may appear as a minor component in certain scent formulations.
Safety Profile
USE WITH AWARENESSWhat Does 2-Methyl-2-butanol Smell Like?
2-Methyl-2-butanol presents a sharp, alcoholic character with faint fruity undertones. Its initial punch quickly dissipates into a cleaner, slightly sweet aroma reminiscent of amyl alcohol. The dry-down is subtle, leaving behind only trace solvent-like notes. While not particularly complex, it serves as a useful modifier in industrial fragrance applications where its volatility helps carry other notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCC(C)(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methyl-2-butanol is a tertiary alcohol with the molecular formula C5H12O. As a synthetic compound, it’s produced through hydration of 2-methyl-2-butene or via Grignard reactions. Its tertiary structure makes it more resistant to oxidation compared to primary alcohols. The molecule lacks chirality due to its symmetrical substitution pattern.
Physical & Chemical Properties
| Boiling Point | 102 °C |
|---|---|
| Density | 0.805 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Fragrance | 0.5-2% | Up to 5% | Solvent carrier |
Classic Accords
Tip: Use sparingly as a volatile carrier for other top notes in functional fragrances.
Alternatives & Comparisons
Primary alcohol with stronger fruity character and better blending properties for fragrance applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to 2-methyl-2-butanol.
GHS Classification
RIFM Assessment
Not currently evaluated by RIFM for fragrance use.
Sustainability
As a petrochemical-derived synthetic, 2-methyl-2-butanol has moderate environmental impact. Production requires careful waste management due to volatile organic compound emissions. No known renewable alternatives exist for this specific molecule.
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Physicochemical Properties
DTXSID: DTXSID0041436
Physical Properties
| Molecular Weight | 88.15 g/mol🔬 EPA CompTox |
| Density | 0.806 g/cm^3🔬 EPA CTX |
| Boiling Point | 100.344 °C🔬 EPA CTX |
| Melting Point | -9.941 °C🔬 EPA CTX |
| Flash Point | 23.908 °C🔬 EPA CTX |
| Refractive Index | 1.407 Dimensionless📊 OPERA |
| Molar Volume | 108.624 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.883 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.956 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.956 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.07 Log10 unitless📊 OPERA |
| Water Solubility | 1.135 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 15.336 mmHg🔬 EPA CTX |
| Viscosity | 2.753 cP📊 OPERA |
| Surface Tension | 24.118 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.153 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 26.714 cm^3/mol📊 OPERA |
| Polarizability | 10.59 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.
