Structural formula
| Business number | 07EY |
|---|---|
| Molecular formula | C11H12O4 |
| Molecular weight | 208.21 |
| label |
Cresyl diacetate, 1,4-Diacetoxy-2-methylbenzene, Methylhydroquinone Diacetate, (CH3CO2)2C6H3CH3, aromatic compounds |
Numbering system
CAS number:717-27-1
MDL number:MFCD00061098
EINECS number:None
RTECS number:None
BRN number:1967373
PubChem number:24877640
Physical property data
1. Appearance: white crystalline powder.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density ( g/mL,AIR =1): Undetermined
4. Melting point (ºC):41 -45
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºF): >230
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
Normally hazardous to water. Do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 53.75
2. Molar volume（m3/ mol）：180.9
3. Isotonic specific volume（90.2K）：447.9
4. Surface Tension（dyne/cm）：37.5
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability:21.31
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 249
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
Stable under normal temperature and pressure, avoid contact with oxides
Storage method
Keep container tightly sealed Take it out of the container and store it in a cool, dry place
Synthesis method
None
Purpose
None
