Ethyl m-toluate

Structural formula

Business number	03C0
Molecular formula	C10H12O2
Molecular weight	164.2
label	3-ethyl methylbenzoate, Ethyl 3-methylbenzoate, 3-Methylbenzoic acid ethyl ester, 3-Methylbenzoic acid ethyl ester, aromatic compounds

• 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:120-33-2

MDL number:MFCD00009114

EINECS number:204-386-3

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: Colorless liquid.

2. Density (g/mL,20℃): 1.03

3. Relative vapor density (g/mL,Air=1 ): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC,20mmHg): 110

7. Refractive index:1.5055-1.5075

8. Flashpoint (ºC):101

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,25ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion upper limit (%,V /V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

Slightly harmful to water.

Molecular structure data

5. Molecular property 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

Avoid contact with oxides.

Storage method

Save sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

Used as medicine, pesticide, dye intermediate

Arial”>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

Avoid contact with oxides.

Storage method

Save sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

Used as medicine, pesticide, dye intermediate