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
mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>):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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