Ethyl o-toluate

Structural formula

Business number	01XQ
Molecular formula	C10H12O2
Molecular weight	164.20
label	2-Methylbenzoate, Ethyl 2-methylbenzoate, CH3C6H4CO2C2H5

• 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.