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
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
微信扫一扫打赏
