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Send EmailTetramethylene Glycol, Butylene Glycol, 1,4-Butanediol, BDO, 110-63-4
CAS Number: 110-63-4
Chemical Formula: C₄H₁₀O₂
Molecular Weight: 90.12 g/mol
EC Number: 203-786-5
Synonyms: Tetramethylene Glycol, 1,4-Butanediol, 1,4-Butylene Glycol, 1,4-Dihydroxybutane, Butane-1,4-diol, 4-Hydroxybutanol, 1,4-Tetramethylene Glycol, Tetramethylene 1,4-Diol
| Parameter | Information |
|---|---|
| Product Name | 1,4-Butylene Glycol |
| IUPAC Name | Butane-1,4-diol |
| CAS Number | 110-63-4 |
| Molecular Formula | C₄H₁₀O₂ |
| Molecular Weight | 90.12 g/mol |
| EC Number | 203-786-5 |
| Chemical Class | Diol, Aliphatic Alcohol, Polyhydric Alcohol |
| Synonyms | Tetramethylene Glycol, 1,4-Butanediol, 1,4-Butylene Glycol, 1,4-Dihydroxybutane, Butane-1,4-diol, 4-Hydroxybutanol, 1,4-Tetramethylene Glycol, Tetramethylene 1,4-Diol |
| Parameter | Value |
|---|---|
| Physical State | Solid near room temperature; Liquid when heated |
| Color | Colorless |
| Appearance | Clear, viscous fluid or crystalline solid (depending on temperature) |
| Odor | Odorless |
| Melting Point | 20 °C (68 °F) |
| Boiling Point | 230 °C (446 °F) at 760 mmHg |
| Flash Point (closed cup) | 121 °C (250 °F) |
| Autoignition Temperature | 350 °C (662 °F) |
| Density (25°C) | 1.017 g/cm³ |
| Refractive Index (20°C) | 1.445 - 1.447 |
| Vapor Pressure (20°C) | <0.01 mmHg (very low) |
| Viscosity (20°C) | ~90 mPa·s |
| Vapor Density (air=1) | 3.1 (heavier than air) |
| Parameter | Value |
|---|---|
| Specific Heat Capacity (25°C) | 2.35 J/g·K |
| Heat of Vaporization | ~75 kJ/mol |
| Heat of Fusion | ~20 kJ/mol |
| Surface Tension (25°C) | ~45 mN/m |
| Thermal Conductivity (20°C) | ~0.20 W/m·K |
| Solvent | Solubility (20°C) |
|---|---|
| Water | Fully miscible |
| Ethanol | Fully miscible |
| Methanol | Fully miscible |
| Acetone | Fully miscible |
| Glycol Ethers | Fully miscible |
| Glycol Ether Acetates | Fully miscible |
| Aliphatic Hydrocarbons | Immiscible |
| Chlorinated Hydrocarbons | Immiscible |
| Benzene | Immiscible |
| Toluene | Immiscible |
| Ether | Moderately soluble |
| Parameter | Information |
|---|---|
| Hydroxyl Value | ~1245 mg KOH/g (theoretical) |
| Acidity (as acetic acid) | ≤0.05% |
| pH (10% aqueous solution, 20°C) | 7.0 - 8.0 (neutral to slightly basic) |
| Purity | ≥99.0% (typically 99.5-99.9%) |
| Water Content | ≤0.5% |
| Chemical Stability | Stable under normal conditions |
| Reactivity with Oxidizers | Incompatible with strong oxidizing agents |
| Reactivity with Acids | May react with mineral acids |
| Reactivity with Acid Chlorides | May react with acid chlorides and acid anhydrides |
| Method | Description |
|---|---|
| Reppe Process (Most Common) | Reaction of acetylene with formaldehyde under high pressure using copper acetylide catalyst → 2-butyne-1,4-diol → hydrogenation over nickel catalyst → 1,4-butanediol |
| Butadiene/Acetic Acid Route | Butadiene + acetic acid → 1,4-diacetoxy-2-butene → hydrogenation → 1,4-diacetoxybutane → hydrolysis → 1,4-butanediol |
| Allyl Alcohol Route | Allyl alcohol + synthesis gas (hydroformylation) → → → 1,4-butanediol |
| Butadiene/Chlorine Route | Butadiene + chlorine → 1,4-dichloro-2-butene + 3,4-dichloro-1-butene → reaction with sodium acetate → 1,4-diacetoxy-2-butene → hydrogenation → 1,4-butanediol |
Note: Hydrogenation is a common final step in all major production methods.
| Function | Description |
|---|---|
| Intermediate | Key chemical intermediate for the production of various industrial chemicals |
| Monomer | Building block for polyesters, polyurethanes, and other polymers |
| Crosslinking Agent | Acts as a crosslinker in polyester plasticizers, paints, and coatings |
| Solvent | Solvent for various industrial applications |
| Humectant | Hygroscopic; attracts and retains moisture |
| Chain Extender | Used as a chain extender in polyurethane production |
| Precursor | Precursor for Tetrahydrofuran (THF), Gamma-Butyrolactone (GBL), and PTMEG |
| Application | Product | Function |
|---|---|---|
| Tetrahydrofuran (THF) Production | THF | Raw material; THF is used to produce PTMEG |
| PTMEG Production | Polytetramethylene Ether Glycol | Monomer for spandex fibers, urethane elastomers, and copolyester ethers |
| Polybutylene Terephthalate (PBT) | Engineering plastic | Monomer; used in automotive, electrical, and consumer goods |
| Polyurethane (PU) | Elastomers, foams, adhesives | Chain extender; diol component |
| Spandex/Lycra Fibers | Elastic fibers | Via PTMEG; used in sportswear and stretch fabrics |
| Copolyester Ethers | Thermoplastic elastomers | Monomer component |
| Application | Description |
|---|---|
| Gamma-Butyrolactone (GBL) Synthesis | Cyclodehydration of 1,4-butanediol to GBL (used as solvent and chemical intermediate) |
| Pharmaceutical Synthesis | Synthesis of epothilones (novel anticancer drugs); stereoselective synthesis of (-)-Br Evisamide |
| Organic Synthesis | Intermediate for various organic compounds |
| Solvent Applications | Industrial solvent for various processes |
| Industry | Application |
|---|---|
| Coatings and Paints | Crosslinking agent for polyester plasticizers, paints, and coatings |
| Printing Inks | Carrier and solvent in printing ink formulations |
| Industrial Cleaning | Component in industrial cleaning products and adhesive removers |
| Agriculture | Component in agricultural and veterinary products |
| Electronics | Production of electronic chemicals |
| Textile | Production of elastic fibers and technical textiles |
| Cosmetics | Humectant and solvent in some formulations (minor use) |
| Application | Mechanism |
|---|---|
| Dyed Hair Color Retention | 1,4-Butylene glycol can be modified with other chemicals and used as a crosslinking agent to prevent color loss in dyed hair. It helps lock hair dye molecules within the hair shaft, extending color longevity. |
| Property | 1,4-Butylene Glycol | 1,3-Butylene Glycol |
|---|---|---|
| CAS Number | 110-63-4 | 107-88-0 |
| Melting Point | 20 °C | < -50 °C |
| Physical State at 25°C | Solid (crystals) | Liquid |
| Primary Use | Industrial monomer, polymer precursor | Cosmetic humectant, solvent |
| Biodegradability | Readily biodegradable | Readily biodegradable |
| Toxicity | Moderate (causes drowsiness, CNS effects) | Very low |
| Regulatory Status | Industrial chemical (restricted in some consumer products) | Widely approved for cosmetics |
| Parameter | Value |
|---|---|
| Acute oral toxicity (rat, LD₅₀) | 1,500 - 2,000 mg/kg (moderate toxicity) |
| Acute dermal toxicity (rabbit, LD₅₀) | >2,000 mg/kg |
| Acute inhalation (rat, LC₅₀) | Not determined (low vapor pressure) |
| Skin irritation | Mildly irritating |
| Eye irritation | Mildly to moderately irritating |
| Skin sensitization | Not a sensitizer |
| Carcinogenicity | Not classified as carcinogenic |
| Genotoxicity | Negative |
GHS Classification:
| Hazard Class | Description |
|---|---|
| H302 | Harmful if swallowed |
| H336 | May cause drowsiness or dizziness |
| Route of Exposure | Effect |
|---|---|
| Inhalation | May cause drowsiness, dizziness, and respiratory tract irritation. Avoid inhalation of vapors/mist. |
| Skin Contact | May cause mild irritation. Wash with soap and water after handling. |
| Eye Contact | May cause mild to moderate irritation. Rinse thoroughly with water. |
| Ingestion | Harmful if swallowed. May cause central nervous system depression, drowsiness, dizziness, and gastrointestinal distress. |
| Chronic Exposure | No significant adverse effects reported at typical industrial exposure levels with proper controls. |
Important Warning: 1,4-Butanediol is metabolized to gamma-hydroxybutyrate (GHB) in the body, which can cause central nervous system depression, drowsiness, and dizziness. Avoid ingestion.
| Exposure | First Aid Procedure |
|---|---|
| Inhalation | Remove to fresh air. If breathing is difficult, give oxygen. If breathing stops, give artificial respiration. Seek medical attention if symptoms persist. |
| Skin Contact | Wash with plenty of soap and water. Remove contaminated clothing. Seek medical attention if irritation develops. |
| Eye Contact | Rinse with plenty of water for at least 15 minutes, holding eyelids open. Seek medical attention if irritation persists. |
| Ingestion | Do NOT induce vomiting. Rinse mouth. Seek immediate medical attention. Note: Ingestion can cause CNS depression. |
| Parameter | Information |
|---|---|
| Flash Point | 121 °C (250 °F) (closed cup) |
| Autoignition Temperature | 350 °C (662 °F) |
| Flammability Limits (vol% in air) | Lower: ~1.5%, Upper: ~12.0% (estimated) |
| Suitable Extinguishing Media | Dry chemical powder, CO₂, alcohol-resistant foam, water spray |
| Unsuitable Extinguishing Media | High-pressure water jet (may spread fire) |
| Firefighter PPE | Full protective clothing with positive pressure SCBA |
| Combustion Products | Carbon monoxide (CO), carbon dioxide (CO₂) |
| Special Hazard | Heated material may release flammable vapors |
| Step | Procedure |
|---|---|
| Personal Protection | Wear appropriate PPE (gloves, goggles, protective clothing, respiratory protection if mist is generated) |
| Small Spills | Absorb with inert absorbent material (sand, vermiculite, diatomaceous earth). Place in sealed container. |
| Large Spills | Dike far ahead of spill to contain. Pump into salvage drums if possible. |
| Environmental Precautions | Prevent entry into sewers, waterways, and groundwater. Note: Melting point is 20°C; solid may require heating for recovery. |
| Disposal | Dispose of in accordance with local regulations. Incineration is recommended. |
| Protection Type | Requirement |
|---|---|
| Respiratory Protection | Not normally required (low vapor pressure). Use NIOSH-approved organic vapor mask if mist/aerosol is generated or if heated. |
| Hand Protection | Nitrile, neoprene, or PVC gloves |
| Eye Protection | Chemical splash goggles (recommended) |
| Skin Protection | Protective clothing to prevent skin contact (especially if hot or liquid) |
| Engineering Controls | Local exhaust ventilation if mist/aerosol is generated; eyewash station |
| Hygiene Measures | Wash hands thoroughly after handling. Do not eat, drink, or smoke in work area. |
| Parameter | Requirement |
|---|---|
| Storage Temperature | 2 °C - 8 °C (optimal; note: melts at 20°C, store above melting point to maintain liquid) |
| Container Material | Stainless steel, aluminum, HDPE, glass |
| Incompatible Materials | Strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides |
| Protection | Keep away from direct sunlight; protect from heat sources |
| Ventilation | Store in well-ventilated area |
| Container Closure | Tightly closed (hygroscopic) |
| Freezing Note | Freezes at 20.1°C (68.2°F). If frozen, warm gently to liquefy. |
| Shelf Life (proper storage) | 24-36 months |
Description: 1,4-Butylene Glycol (1,4-Butanediol, Tetramethylene Glycol, CAS 110-63-4) is a colorless, odorless diol with a melting point of 20°C. It is a key industrial intermediate derived from butane with hydroxyl groups attached to both terminal carbon atoms. It is hygroscopic, viscous, and fully miscible with water and polar solvents.
Key Advantages:
Versatile chemical intermediate for multiple industrial products
Key monomer for high-value polymers (PBT, PTMEG, PU)
Precursor for THF, GBL, and spandex fibers
High purity grades available (≥99%)
Stable under normal storage conditions
Key Limitations/Considerations:
Melting point at 20°C requires temperature-controlled storage and handling
Harmful if swallowed; can cause CNS depression (metabolized to GHB)
Incompatible with strong oxidizing agents and mineral acids
Industrial chemical with restricted use in consumer products in some regions
Not suitable for cosmetic use as a direct substitute for 1,3-butylene glycol
Major Applications Summary:
| Application | Importance |
|---|---|
| THF/PTMEG (Spandex) | Largest use |
| PBT (Engineering Plastics) | Major use |
| Polyurethane (PU) | Major use |
| GBL (Solvent) | Significant use |
| Pharmaceutical Synthesis | Specialty use |
Safety Assessment:
GHS Classification: H302 (Harmful if swallowed), H336 (May cause drowsiness or dizziness)
Metabolized to GHB in the body – ingestion causes CNS depression
Low acute dermal toxicity; mild skin/eye irritant
Industrial chemical; not generally used in cosmetic formulations (1,3-butylene glycol is preferred for cosmetics)
Comparison to 1,3-Butylene Glycol:
| Feature | 1,4-Butylene Glycol | 1,3-Butylene Glycol |
|---|---|---|
| Primary Use | Industrial monomer | Cosmetic humectant |
| Melting Point | 20°C | < -50°C |
| Toxicity | Moderate (CNS effects) | Very low |
| Cosmetic Use | Not common | Widely used |
Conclusion: 1,4-Butylene Glycol (Tetramethylene Glycol) is a critically important industrial chemical intermediate used primarily for the production of THF, PTMEG (spandex fibers), PBT (engineering plastics), and polyurethanes. It is also used in pharmaceutical synthesis and as a precursor for GBL. Due to its metabolism to GHB and associated CNS effects, ingestion must be avoided, and industrial handling requires proper safety controls. For cosmetic applications, 1,3-butylene glycol is the preferred isomer.