1,1,3,3-Tetramethoxypropane 1,1,3,3-Tetramethoxypropane

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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