methyl o-toluate

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:89-71-4

mdl number:mfcd00008428

einecs number:201-932-2

rtecs number:none

brn number:2041846

pubchem number:24855446

physical property data

1. properties: colorless liquid.

2. density (g/ml, 25/4℃): 1.068

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): <-50

5. boiling point (ºc, normal pressure): 215

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): 82

9. specific rotation (º): undetermined

p>

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. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v /v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: miscible with ethanol and ether, insoluble in water

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 42.85

2. molar volume (cm³/mol): 143.6

3. isotonic specific volume (90.2k ): 349.7

4. surface tension (dyne/cm): 35.1

5. polarizability (10-24cm3): 16.98

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. determined number of chemical bond stereocenters: 0

14. uncertain chemical bond stereocenters quantity: 0

15. quantity of covalent bond units: 1

properties and stability

none

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

none

purpose

used in organic synthesis. gas chromatography stationary solution (maximum operating temperature 80°c, solvent: diethyl ether).