1,4-Butanediol Colorless liquid Solvents and wetting agents CAS 110-63-4
1. Product title:1,4-Butanediol
2. Product parameter table:
||Solvents and wetting agents
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3. Product Description:1,4-Butane-1,4-diol is an organic substance with a molecular formula of C4H10O2 and a molecular weight of 90.12. Appearance is colorless or light yellow oily liquid. It is flammable, with a freezing point of 20.1°C and a refractive index of 1.4461. It is soluble in methanol, ethanol, acetone, and slightly soluble in ether. It is hygroscopic, has a bitter odor, and has a slightly sweet taste in the mouth.
Used as a solvent and moisturizer, also used to make plasticizers, drugs, polyester resins, polyurethane resins, etc.
4. Physicochemical properties:
Density 1.0±0.1 g/cm3
Boiling point 228.0±0.0 °C at 760 mmHg
Melting point 20 °C
Molecular formula C4H10O2
Molecular weight 90.121
Flash point 105.9±13.0 °C
Accurate quality 90.068077
Appearance: viscous, colorless liquid
Vapor density 3.1 (vs air)
Vapor pressure 0.0±1.0 mmHg at 25°C
Refractive index 1.441
Store in a cool, ventilated warehouse, away from fire. Keep the container tightly closed and keep away from oxidants and water sources. Leak emergency treatment equipment and suitable containment materials should be provided. It can be sealed and stored in mild steel, aluminum or copper containers.
It is packed in aluminum, stainless steel, galvanized iron drums or plastic drums, or stored and transported in a tank truck according to the regulations for flammable and toxic substances. Because the melting point is as high as 20°C, a heating tube should be installed in the tank truck.
Stability No decomposition under normal temperature and pressure. Avoid contact with oxides and damp moisture. It is hygroscopic and does not corrode metals. Flammable and low toxicity. poisonous. When attached to diseased or injured skin or drinking, it will initially exhibit anesthesia, causing special pathological changes in the liver and kidneys, and then suddenly die due to central nerve paralysis (without long-term latency). Oral LD50210~420mg/kg for white mice. Production equipment should be sealed to prevent leakage, and operators should wear protective gear. People with skin wounds are strictly prohibited from contacting this product.
Water solubility Miscible
1. Molar refractive index: 23.65
2. Molar volume (cm3/mol): 89.5
3. Isotonic specific volume (90.2K): 224.7
4. Surface tension (dyne/cm): 39.6
5. Dielectric constant (20ºC): 31.1
6. Dipole distance (10-30C·m): 2.40
7. Polarizability (10-24cm3): 9.37
1. Hydrophobic parameter calculation reference value (XlogP): none
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecular polar surface area 40.5
7. Number of heavy atoms: 6
8.Surface charge: 0
9. Complexity: 17.5
10. Number of isotope atoms: 0
11.Determine the number of atomic stereo centers: 0
12. Uncertain the number of atomic stereo centers: 0
13. Determine the number of chemical bond stereo centers: 0
14. Uncertain the number of chemical bond stereo centers: 0
15.Number of covalent bond units: 1
1. Properties: colorless viscous liquid, needle-like crystals at low temperature.
2. Boiling point (ºC, 101.3kPa): 228
3. Melting point (ºC): 19.9
4. Relative density (g/mL, 20/4ºC): 1.017
5. Relative density (g/mL, 25/4ºC): 1.015
6. Refractive index (n25ºC): 1.4445
7. Viscosity (mPa·s, 20ºC): 88.8
8. Viscosity (mPa·s, 25ºC): 45.27
9. Flash point (ºC, opening): >121
10. Heat of evaporation (KJ/kg): 576.1
11. Heat of combustion (KJ/mol): 2518.8
12. Specific heat capacity (KJ/(kg·K), 20~75ºC, constant pressure): 2.41
13. Critical temperature (ºC): 446
14 Critical pressure (MPa): 6.2
15 Thermal conductivity (W/(m·K), 20ºC): 0.160
16. Solubility: miscible with water, acetone and alcohol. Slightly soluble in ether, benzene, halogenated hydrocarbons, etc.
17. Normal temperature refractive index (n20): 1.4462
18. Eccentricity factor: 1.189
19. Solubility parameter (J·cm-3) 0.5: 27.958
20. van der Waals area (cm2·mol-1): 8.320×109
21. The volume of van der Waals (cm3·mol-1): 57.000
22. Standard heat of combustion in gas phase (enthalpy) (kJ·mol-1): -2576.5
23. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -426.7
24. Liquid phase standard heat of combustion (enthalpy) (kJ·mol-1): -2499.9
25. The liquid phase standard claims heat (enthalpy) (kJ·mol-1): -503.3
26. Liquid standard entropy (J·mol-1·K-1): 223.4
27. Liquid phase standard hot melt (J·mol-1·K-1): 241.2
5. use:1,4 Butanediol is an important organic chemical and fine chemical raw material, and it is the basic raw material for the production of polybutylene terephthalate (PBT) engineering plastics and PBT fibers; PBT plastics are the five most promising ones. One of engineering plastics.
1,4-Butanediol is the main raw material for the production of tetrahydrofuran, which is an important organic solvent. Polytetramethylene glycol ether (PTMEG) obtained after polymerization is the basic raw material for the production of highly elastic spandex (Lycra fiber). Spandex is mainly used to produce high-elastic knitwear such as high-grade sportswear and swimming suits.
The downstream product of 1,4-butanediol, γ-butyrolactone, is the raw material for the production of 2-pyrrolidone and N-methylpyrrolidone products, from which a series of high value-added products such as vinylpyrrolidone and polyvinylpyrrolidone are derived. It is widely used in the fields of pesticides, medicine and cosmetics.
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