Structural formula
| Business number | 025L |
|---|---|
| Molecular formula | C9H10O3 |
| Molecular weight | 166.17 |
| label |
2,5-dimethoxybenzoin aldehyde, 2,5-Dimethoxy-benzaldehyde |
Numbering system
CAS number:93-02-7
MDL number:MFCD00003314
EINECS number:202-211-5
RTECS number:CU5740500
BRN number:509301
PubChem number:24893408
Physical property data
1. Characteristics: light yellow crystalline powder
2. Density (g/mL,25/4℃)： Undetermined
3 . Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (oC): 45-50
5. Boiling point (oC,Normal pressure):146
6. Boiling point (oC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (oC): Undetermined
9. Specific optical rotation (o): Undetermined
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. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion limit (%, V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: soluble in ethanol, ether and other organic solvents.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 46.36
2. Molar Volume (m3/mol）：149.1
3. isotonic specific volume (90.2K):365.6
4. Surface Tension (dyne/cm):36.1
5. Polarizability（10-24cm3):18.37
Compute chemical data
1 , Reference value for hydrophobic parameter calculation (XlogP): 1.5
2 , Number of hydrogen bond donors: 0
3 , Number of hydrogen bond acceptors: 3
4、 Number of rotatable chemical bonds: 3
5 , Number of tautomers:
6、 Topological molecular polar surface area ( TPSA): 35.5
7 , Number of heavy atoms: 12
8 , Surface charge: 0
9 , Complexity: 147
10 , Isotope atomic number: 0
11, Determine the number of atomic stereocenters: 0
12 , Uncertain number of atomic stereocenters: 0
13 , Determine the number of stereocenters of chemical bonds: 0
14 , Uncertain number of chemical bond stereocenters: 0
15 , Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored away from light.
Synthesis method
Using the corresponding hydroxymethoxybenzaldehyde as raw material, it is prepared by methylation reaction with dimethyl sulfate in an alkali aqueous solution.
Purpose
Used as organic intermediates
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