2,5-diacetoxytoluene

Structural formula

• 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