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.