2,5-diacetoxytoluene

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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

resource:allhdi.com</a