1,1,3,3-Tetramethoxypropane 1,1,3,3-Tetramethoxypropane
Structural formula
| Business number | 02M7 |
|---|---|
| Molecular formula | C7H16O4 |
| Molecular weight | 164.2 |
| label |
Malonaldehyde bis(dimethyl acetal) |
Numbering system
CAS number:102-52-3
MDL number:MFCD00008488
EINECS number:203-037-2
RTECS number:None
BRN number:1700020
PubChem ID:None
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25℃): 0.997
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 183
6. Boiling point (ºC, mmHg): Undetermined
7. Refractive index: 1.407
8. Flash point (ºC): 54
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined Determined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 41.37
2. Molar volume (cm3/mol): 170.2
3. Isotonic specific volume (90.2K ): 384.0
4. Surface tension (dyne/cm): 25.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 16.40
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 36.9
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 68.5
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 oxidizing agents, acid, water contact.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat, water and anti-static. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and acidic substances, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
It is obtained by reducing 3-nitro-para-aminoanisole with iron powder. Add 60% acetic acid and 3-nitro-p-aminoanisole into the reduction pot, stir for half an hour, and add iron powder. Heat to 60%, keep warm and react until the liquid infiltration ring is colorless, which is the end point, and reduce to generate 4-methoxy-1,2-phenylenediamine.
Purpose
Used as pharmaceutical and dye intermediates, and also as intermediates for agricultural product preservatives