Methyl m-toluate Methyl m-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:99-36-5

MDL number:MFCD00008436

EINECS number:202-753-2

RTECS number:None

BRN number:2043574

PubChem number:24889296

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 1.063

3. Relative density (20℃, 4℃): 1.0627

4. Relative Density (25℃, 4℃): 1.0473⁴⁰

5. Boiling point (ºC, normal pressure): 215

6. Boiling point (ºC, 27mmHg ): 113

7. Refractive index: 1.516

8. Flash point (ºC): 96

9. Refractive index at room temperature (n²⁵ ): 1.5133

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

11. Vapor pressure (mmHg, ºC): 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

Generally speaking, it is not harmful to water bodies.

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. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.98

Calculate 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

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, dry and ventilated special explosives warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

Used as medicine, pesticide, dye intermediate and organic synthesis intermediate.