Structural formula
| Business number | 01MS |
|---|---|
| Molecular formula | C11H16O4 |
| Molecular weight | 212.24 |
| label |
(9CI)-3,9-divinyl-2,4,8,10-tetraxaspiro[5.5]undecane, 3,9-divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane, 3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane, Acrolein-pentaerythritol dicyclic acetal, Acrolein pentaerythritol bisacetal, Pentaerythritol diacrolein acetal |
Numbering system
CAS number:78-19-3
MDL number:MFCD00006564
EINECS number:201-092-7
RTECS number:XF0875000
BRN number:None
PubChem number:24851491
Physical property data
1. Physical property data
1. Character: Unsure.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):41-45℃
5. Boiling point (ºC,Normal pressure):143℃
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flashpoint (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. </SPA��Toxicity
Rat caliberLD50:3250mg/kg
Mouse abdominal cavityLD50:320mg/kg
Rabbit skinLD50:7920mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 55.35
2. Molar volume (m3/mol）：190.2
3. isotonic specific volume (90.2K):463.4
4. Surface Tension (dyne/cm):35.2
5. Polarizability（10-24cm3): 21.94
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 36.9
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 206
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
>) ：35.2
5. Polarizability（10-24cm3): 21.94
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 36.9
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 206
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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