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