m-tolyl acetate m-tolyl acetate

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:122-46-3

mdl number:mfcd00041910

einecs number:204-546-2

rtecs number:none

brn number:1862796

pubchem number:24877836

physical property data

1. properties: oily liquid, evaporates with steam, and has a phenolic smell.

2. solubility: insoluble in water and glycerin, easily soluble in ethanol, ether, chloroform, petroleum ether, benzene, etc.

3. boiling point (ºc): 210~212

4. melting point (ºc): 10~12

5. flash point (ºc): 94

6. relative density (d²⁰₄₎ : 1.043

7. refractive index _(n sub>²⁰_d)：1.4978

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 42.41

2. molar volume (cm³/mol): 143.3

3. isotonic specific volume (90.2k ): 346.4

4. surface tension (dyne/cm): 34.1

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 16.81

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: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 143

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

1. exist in the mainstreamin the air.

storage method

none yet

synthesis method

1. produced by the reaction of m-cresol and acetic anhydride.

purpose

none yet