ethyl 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:87-24-1

mdl number:mfcd00009112

einecs number:201-734-6

rtecs number:none

brn number:2042517

pubchem number:24889294

physical property data

1. character:colorless liquid

2. density (g/ml,25/4℃)：1.032

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

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):220-221°c

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

7. refractive index:1.507-1.509

8. flash point (ºc):91°c

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

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

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

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 47.48

2. molar volume (m³/mol）：160.1

3. isotonic specific volume (90.2k):389.5

4. surface tension (dyne/cm):35.0

5. polarizability（10^-24cm³):18.82

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: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 154

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

none yet

storage method

this product should be sealed, dry and protected from light.

synthesis method

none yet

purpose

used in organic synthesis intermediates.

lang=en-us style=”font-size: 9pt; font-family: arial”>m³/mol）：160.1

3. isotonic specific volume (90.2k):389.5

4. surface tension (dyne/cm):35.0

5. polarizability（10^-24cm³):18.82

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: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 154

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

none yet

storage method

this product should be sealed, dry and protected from light.

synthesis method

none yet

purpose

used in organic synthesis intermediates.

margin: 0cm 0cm 0pt”>for organic synthesis intermediates.