Vinyl propionate Vinyl Pivalate
Structural formula
| Business number | 02RL |
|---|---|
| Molecular formula | C5H8O2 |
| Molecular weight | 100.12 |
| label |
Propionic Acid Vinyl Ester |
Numbering system
CAS number:105-38-4
MDL number:MFCD00027004
EINECS number:203-293-5
RTECS number:UF8575000
BRN number:1741731
PubChem ID:None
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25℃): 0.92
3. Relative density (25℃, 4℃): 0.824393
4. Melting point (ºC): -80
5. Boiling point (ºC, normal pressure): 93
6. Liquid phase standard hot melt (J·mol -1·K-1): 179.2
7. Refractive index: 1.4053
8. Flash point (ºC) : 6
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa, ℃): Undetermined2
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water, soluble in acetone.
Toxicological data
1. Skin/eye irritation: Standard Dresser test: rat skin contact, 500mgREACTION SEVERITY, slight reaction; Start irritation test: rabbit skin contact, 10mg/24HREACTION SEVERITY, slight reaction; Standard Dresser test: rabbit eye contact , 10mgREACTION SEVERITY, minor reaction; use. rabbit Skin contact LD50: 10mL/kg; 3. Mutagenicity: sister chromatid exchange test: human lymphocytes, 400μmol/L;
生�Academic data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 26.71
2. Molar volume (cm3/mol): 109.6
3. Isotonic specific volume (90.2K ): 244.8
4. Surface tension (dyne/cm): 24.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 10.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 76.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
(1) Obtained by the oxidation of ethylene and pivalic acid under the action of palladium catalyst; (2) Obtained by the direct addition of acetylene and pivalic acid under the action of catalysts such as mercury or cadmium; (3) Vinyl exchange method. It is obtained by reacting other carboxyvinyl esters with pivalic acid and performing transesterification under the action of mercury or palladium catalyst.
Purpose
Used as a comonomer for modifying various ethylene polymers, it can improve chemical resistance, water resistance, weather resistance, and hardness; used as a raw material for coatings, it can produce coatings with excellent weather resistance and chemical properties and stability. ; Organic synthesis intermediates.