Methyl o-toluate
Structural formula
| Business number | 0216 |
|---|---|
| Molecular formula | C9H10O2 |
| Molecular weight | 150.17 |
| label |
Methyl-2-methylbenzoate, Methyl o-toluate, 2-Methyl toluoate, Methyl 2-methylbenzoate, CH3C6H4CO2CH3 |
Numbering system
CAS number:89-71-4
MDL number:MFCD00008428
EINECS number:201-932-2
RTECS number:None
BRN number:2041846
PubChem number:24855446
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25/4℃): 1.068
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): <-50
5. Boiling point (ºC, normal pressure): 215
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): 82
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): 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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Miscible with ethanol and ether, insoluble in water
Toxicological data
None
Ecological data
None
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. Polarizability (10-24cm3): 16.98
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: 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. Determined number of chemical bond stereocenters: 0
14. Uncertain chemical bond stereocenters Quantity: 0
15. Quantity of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
None
Purpose
Used in organic synthesis. Gas chromatography stationary solution (maximum operating temperature 80°C, solvent: diethyl ether).