1-Butanol
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Product Description
1-Butanol is an important tetracarbon alcohol volatile organic compound with both polar and nonpolar characteristics. Industrially, it is commonly used as a fuel additive, solvent for coatings and adhesives, precursor for plasticizers, and intermediate for pharmaceuticals and fragrances. It can also be regenerated through supercritical CO₂ regeneration technology. Its long molecular chain and low polarity endow it with high adsorption energy and low saturation fugacity on activated carbon, making it an ideal model compound for studying VOC capture and catalytic upgrading (such as the Guerbet coupling of ethanol to 1-butanol).
Synthesis and Production
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Primary Industrial Method: Propylene Carbonylation (Hydroformylation)
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Raw Materials: Propylene (from petroleum or coal) + Syngas (CO + H₂)
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Catalyst: Rhodium or cobalt-based
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Process:
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Propylene reacts with syngas to form a mixture of n-butyraldehyde and iso-butyraldehyde.
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The mixture is separated; n-butyraldehyde is hydrogenated to yield 1-Butanol.
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Flexible Production: The process can be adjusted to control the output ratio of 1-Butanol vs. 2-Ethylhexanol (part of the “butyl alcohol / octyl alcohol” industrial family).
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Alternative Synthesis (Research Focus):
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Ethanol Guerbet Coupling: Catalytic upgrading of ethanol to 1-butanol.
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Adsorption & Recovery: Supercritical CO₂ regeneration for VOC capture and recycling.
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Uses and Applications
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Solvent:
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Production of butyl acetate, a high-performance solvent used in:
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Paints, coatings, lacquers
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Inks, adhesives
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Cleaning agents
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Direct use as a solvent in:
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Paints, varnishes, resins
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Pharmaceuticals and cosmetics
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Chemical Intermediate:
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Synthesis of butyl acrylate for:
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Textile auxiliaries, leather treatment, coatings
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Production of plasticizers (e.g., dibutyl phthalate)
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Used in drug synthesis and flavor/fragrance manufacturing
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Fuel & Energy:
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Fuel additive (biofuel component)
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Model compound for VOC capture and catalytic conversion studies
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Consumer & Industrial Products:
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Used in PVC plasticizers for soft products (e.g., credit cards, raincoats, medical tubing)
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Part of acrylic resins for durability and weather resistance
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Chemical and Physical Properties
Physical & Chemical Properties:
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Molecular Formula: C₄H₁₀O
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Molecular Weight: 74.12 g/mol
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Appearance: Colorless liquid
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Odor: Strong, characteristic, mildly alcoholic; banana/fusel-like
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Boiling Point: 117.6 °C
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Melting Point: -89.8 °C
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Density: 0.8098 g/cm³ at 20°C
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Solubility: 63.2 mg/mL in water at 25°C; miscible with organic solvents
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Vapor Pressure: 7.0 mmHg at 25°C
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LogP: 0.88 (hydrophilic-lipophilic balance)
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pKa: 16.10 (weak acid)
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Autoignition Temperature: 343 °C
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Flash Point: 37 °C (closed cup)
Molecular & Structural Features:
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Linear chain alcohol with one hydroxyl group
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Polar yet hydrophobic due to C4 chain
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Strong hydrogen-bonding capability
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Low polarity, high adsorption energy on activated carbon
Spectroscopic & Interaction Data (from studies):
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Dielectric Relaxation: Shows strong dipole-dipole and H-bonding interactions in mixtures (e.g., with DMF).
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FTIR/UV-Vis Shifts: Confirm H-bonding between –OH (butanol) and carbonyl (DMF).
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NMR Data Available: ¹H, ¹³C, ¹⁷O, and 2D spectra provided in PubChem.
Safety and Handling
Hazards:
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Flammable Liquid (Flash point 37°C)
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Irritant (skin, eyes, respiratory tract)
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Corrosive to some plastics and coatings
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UN Number: 1120
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GHS Pictograms: Flammable, Corrosive, Irritant
Exposure & Toxicity:
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Odor Threshold: ~0.83 ppm in air
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TLV: Not specified, but odor safety factor indicates moderate warning
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Decomposition: Emits acrid smoke and fumes upon heating
Handling & Storage:
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Store in cool, ventilated areas away from ignition sources
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Use appropriate PPE (gloves, goggles, ventilation)
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Follow local regulations for flammable liquid storage