Ethyl o-toluate
Structural formula
| Business number | 01XQ |
|---|---|
| Molecular formula | C10H12O2 |
| Molecular weight | 164.20 |
| label |
2-Methylbenzoate, Ethyl 2-methylbenzoate, CH3C6H4CO2C2H5 |
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.
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.