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
