4-ethoxy-3-methoxybenzaldehyde
Structural formula
| Business number | 03BX |
|---|---|
| Molecular formula | C10H12O3 |
| Molecular weight | 180.20 |
| label |
3-methoxy-4-ethoxybenzaldehyde, 4-Ethoxym-anisaldehyde, 4-ethoxy-3-methoxybenzaldehyde, vanillin ether, 4-Ethoxy-m-anisaldehyde, aromatic compounds |
Numbering system
CAS number:120-25-2
MDL number:MFCD00016614
EINECS number:204-382-1
RTECS number:None
BRN number:None
PubChem number:24873887
Physical property data
1. Characteristics: yellow crystal.
2. Density (g/mL,25℃): Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC):50- 53
5. Boiling point (ºC,normal pressure):168
6. Boiling point (ºC,kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC):110
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 limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Slightly soluble in water
Toxicological data
None
Ecological data
It is not harmful to water.
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 50.99 2. Molar volume (m3/mol）：165.6 3. isotonic specific volume (90.2K):405.4 4. Surface Tension (dyne/cm):35.9 5. Polarizability（10-24cm3):20.21
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: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 158
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
None
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4. Surface Tension (dyne/cm):35.9
5. Polarizability（10-24cm3):20.21
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: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 158
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
None
