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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