Methyl m-toluate Methyl m-toluate
Structural formula
| Business number | 02FQ |
|---|---|
| Molecular formula | C9H10O2 |
| Molecular weight | 150.17 |
| label |
Methyl 3-methylbenzoate, Methyl m-toluate, 3-Methyl-benzoicacimethylester, Meta-toluic acid, methyl ester, M-toluylic acid, methyl ester, Methyl 3-toluate, Methyl 3-methylbenzoate, Methyl m-toluate, Methyl-m-methyl benzoate, 3-Methylbenzoic acid methyl ester |
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.
