Vinyl Butyrate Vinyl Butyrate
Structural formula
| Business number | 03GB |
|---|---|
| Molecular formula | C6H10O2 |
| Molecular weight | 114.14 |
| label |
Vinyl n-butyrate, vinyl butyrate, aliphatic compounds |
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.
