Bis(2-methoxyethyl)phthalate

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:117-82-8

MDL number:MFCD00042842

EINECS number:204-212-6

RTECS number:TI1400000

BRN number:2056929

PubChem number:24862960

Physical property data

1. Properties: light yellow oily liquid

2. Density (g/mL, 20℃): 1.170-1.176

3. Relative vapor density (g/mL, Air = 1): Undetermined

4. Melting point (ºC): -40

5. Boiling point (ºC, normal pressure): 350

6. Boiling point (ºC, KPa): Not determined

7. Refractive index: 1.503

8. Flash point (ºC): 185

9. Specific rotation (º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): 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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Incompatible with alcohol It is miscible with various organic solvents such as acetone, petroleum ether and oil, and is slightly soluble in glycerol and ethylene glycol.

20. Color (APHA): <50

21. Evaporation rate: 0.0041g/1000cm2·h (100℃)

Toxicological data

1. Irritation: Guinea pig transdermal: 500mg/24 hours, mild irritation. Rabbit eye: 100mg, mild irritation.

2. Acute toxicity:

Oral LD5O in mice: 3200mg/kg; Oral LD5O in rats: 2750mg/kg; Dermal LD5O in guinea pigs: >20g/kg; Large Rat inhalation LCLO: 1595ppm/6H

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 71.82

2. Molar volume (cm³/mol): 243.9

3. Isotonic specific volume (90.2K ): 615.4

4. Surface tension (dyne/cm): 40.4

5. Polarizability (10^-24cm³): 28.47

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: 6

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 71.1

7.Number of heavy atoms:20

8. Surface charge: 0

9. Complexity: 274

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

Stable at room temperature and pressure, avoid contact with strong oxidants.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Methoxyethanol is obtained by performing an addition reaction between ethylene oxide, methanol, and boron trifluoride ether, and neutralizing the reaction product. Then carry out esterification reaction with phthalic anhydride, and then use activated carbon to decolorize, distill, water wash, alkali wash, dehydration, and press filtration to obtain the finished product. After the esterification reaction product is washed with water, it is distilled under reduced pressure. This post-treatment process is also used in industrial production. The DMEP content of industrial products is ≥99. Raw material consumption quota: phthalic anhydride 750kg/t, ethylene oxide 820kg/t, methanol 660kg/t.

Purpose

It is mainly used as a plasticizer for cellulose acetate. It is less volatile than diethyl phthalate, has good durability, and makes the film tough. It can be used in enameled wires, film films, high-strength varnishes, adhesives and laminate adhesives, etc.; it can also be used as sensitizer and solvent for gas chromatography fixatives and triacetic acid film bases. It can be used as a plasticizer for cellulose resin, vinyl resin, and synthetic rubber. It is less volatile than diethyl phthalate (DEP) and can give products good durability, toughness, and oil resistance. It is mainly used as a plasticizer for cellulose acetate in the manufacture of enameled wires, film films, high-strength varnishes, adhesives and laminate adhesives.