Vinyl Butyrate Vinyl Butyrate

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:123-20-6

MDL number:MFCD00059410

EINECS number:204-609-4

RTECS number:ET7000000

BRN number:1744933

PubChem number:24851620

Physical property data

1. Properties: liquid

2. Flash point: 20℃/open cup

3. Melting point: -86.8℃

4. Boiling point: 116.7℃

5. Solubility: insoluble in water

6. Density: relative density (water = 1) 0.90; relative density (air = 1) 4.0

7. Stability: Stable

8. Relative density (20℃, 4℃): 0.9009

Toxicological data

1. Acute toxicity: Rat oral LD50: 8530mg/kg

Rat inhalation LCL0: 4000ppm/4H

Rabbit skin LD50: >8mL/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.34

2. Molar volume (cm³/mol): 126.1

3. Isotonic specific volume (90.2K): 284.5

4. Surface tension (dyne/cm): 25.9

5. Polarizability (10^-24cm³): 12.42

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 86.5

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

1. Nature: Liquid hazard mark 7 (flammable liquid).

Storage method

None yet

Synthesis method

None yet

Purpose

2. Main uses: used in the manufacture of polymers and emulsified coatings.