phenyl acetaldehyde-ethylene glycol acetal 2-benzyl-1,3-dioxolane
structural formula
| business number | 02kp |
|---|---|
| molecular formula | c10h12o2 |
| molecular weight | 164.20 |
| label |
2-benzyl-1,3-dioxolane, phenylacetaldehyde ethylene acetal |
numbering system
cas number:101-49-5
mdl number:mfcd00003215
einecs number:202-946-1
rtecs number:jh6768000
brn number:117974
pubchem number:24858043
physical property data
1. properties: undetermined
2. density (g/ml, 20℃): 1.085
3. relative vapor density (g/ml, air=1) : undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc, normal pressure): 115
6. boiling point (ºc, kpa): not determined
7. refractive index: 1.522
8. flash point (ºc): not determined
9. specific rotation (º) : undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg, 20.2ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
acute toxicity: rat oral ld50: 2200mg/kg; rabbit skin contact ld50: 2600mg/kg;
ecological data
none yet
molecular structure data
1. molar refractive index: 46.21
2. molar volume (cm3/mol): 149.1
3. isotonic specific volume (90.2k ): 380.4
4. surface tension (dyne/cm): 42.3
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 18.31
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 18.5
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 124
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. inaccurate��number of stereocenters of chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
