2,5-diacetoxytoluene

2,5-diacetoxytoluene structural formula

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 volumem3/ mol180.9


3. Isotonic specific volume90.2K447.9


4. Surface Tensiondyne/cm37.5


5. Dielectric constant:


6. Dipole moment10 -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

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