Vinyl propionate Vinyl Pivalate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.