2-Butanol (CAS 78-92-2) — Sweet Not typically used Note Fragrance Ingredient
2-Butanol
CAS 78-92-2
What Is 2-Butanol?
2-Butanol is a synthetic alcohol primarily used as an industrial solvent and chemical intermediate. Consumers rarely encounter it directly in fragrances, but it may appear as a trace component in some formulations. While not a major fragrance ingredient, 2-butanol plays a role in certain synthetic pathways and solvent systems for fragrance manufacturing.
Safety Profile
USE WITH AWARENESSWhat Does 2-Butanol Smell Like?
2-Butanol has a sharp, alcoholic odor with slight fruity undertones. The scent profile is straightforward and less complex than higher alcohols, presenting a clean but somewhat harsh alcohol character that lacks the refinement of fragrance-grade alcohols. Its odor strength is moderate but not particularly diffusive, making it more functional than aesthetic in perfumery applications.
2D Molecular Structure
SMILES: CCC(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Butanol is a secondary alcohol with four carbon atoms. It exists as one of three butanol isomers. Industrially produced through hydration of butenes or hydrogenation of butanone, it serves primarily as a solvent rather than a fragrance material. The molecule lacks chiral centers, existing as a single structural isomer.
Physical & Chemical Properties
| Boiling Point | 99.5 °C |
|---|---|
| Flash Point | 27 °C |
| Density | 0.808 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | Trace | 0-0.5% | Solvent carrier |
| Cleaning Products | 1-3% | Up to 5% | Degreasing agent |
Classic Accords
Tip: Not recommended for fine fragrance use due to harsh odor profile.
Alternatives & Comparisons
Alternative solvent with similar properties but more neutral odor characteristics.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA
GHS Classification
RIFM Assessment
Not evaluated by RIFM as it’s not a significant fragrance material.
Sustainability
2-Butanol is petroleum-derived with no significant natural sources. Production is energy-intensive but widely established in chemical manufacturing. Environmental impact is moderate due to volatility and flammability concerns.
Explore 2-Butanol
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References
- PubChem Compound Summary for 2-Butanol PubChem CID 6568
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 78-92-2Physical Properties
| Molecular Weight | 74.12 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.6🔬 PubChem |
| Boiling Point | 99.4 °C🔬 EPA CompTox |
| Vapor Pressure | 12 mmHg @ 25°C📊 OPERA |
| Flash Point | 23.9 °C🔬 EPA CompTox |
| Involatility Index | 1.5022💻 Calculated |
| log Kp (skin permeability) | -2.726💻 Calculated |
| SMILES | CCC(C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | alcoholicsolvent• leffingwell |
| Functional Groups | alcohol💻 RDKit |
| “Oily-vinous odor, sweeter than that of the”📖 Arctander | |
Flavor Notes (Arctander)
| “The author is not aware of any significant use of this alcohol in perfumes or flavors, but it is interesting to note that secondary-Butyl-alcohol has the lowest toxicity of all four isomers of Butylalcohol. Only for the sake of completion, all four alcohols are included in this work.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 6.2951 ppm (n=18)📖 van Gemert |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID9021762
Physical Properties
| Molecular Weight | 74.123 g/mol🔬 EPA CompTox |
| Density | 0.807 g/cm^3🔬 EPA CTX |
| Boiling Point | 99.496 °C🔬 EPA CTX |
| Melting Point | -107.835 °C🔬 EPA CTX |
| Flash Point | 23.896 °C🔬 EPA CTX |
| Refractive Index | 1.393 Dimensionless📊 OPERA |
| Molar Volume | 92.445 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.618 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.67 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.67 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.85 Log10 unitless🔬 EPA CTX |
| Water Solubility | 2.397 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 16.149 mmHg🔬 EPA CTX |
| Viscosity | 3.043 cP📊 OPERA |
| Surface Tension | 24.199 dyn/cm📊 OPERA |
| Thermal Conductivity | 144.249 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 | 22.074 cm^3/mol📊 OPERA |
| Polarizability | 8.751 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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