Bis(2-methoxyethyl)adipate Bis(2-methoxythyl)Adipate

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:106-00-3

MDL number:MFCD00041905

EINECS number:203-352-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: liquid.

2. Density (g/mL, 25/4℃): 1.075

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

4. Melting point (ºC): -16

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

6. Boiling point (ºC, 1.47kPa): 185～ 190

7. Refractive index: 1.439

8. Flash point (ºC): Undetermined

9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water.

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 64.68

2. Molar volume (cm³/mol): 246.3

3. Isotonic specific volume (90.2K ): 598.3

4. Surface tension (dyne/cm): 34.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 25.64

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: 6

4. Number of rotatable chemical bonds: 13

5. Number of tautomers: none

6. Topological molecular polarity tableProduct 71.1

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 205

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Keep away from light. 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

None yet

Purpose

Gas chromatography stationary solution (maximum operating temperature 150°C, solvent is methylene chloride), separates and analyzes C₃~C₄ hydrocarbons.