Triethylene glycol dimethyl ether Triethylene glycol dimethyl ether

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:112-49-2

MDL number:MFCD00008504

EINECS number:203-977-3

RTECS number:XF0665000

BRN number:1700630

PubChem number:24900334

Physical property data

1. Properties: colorless liquid.

2. Relative density (g/mL, 20/4ºC): 0.986

3. Relative vapor density (g/mL, air=1): >4.7

4. Melting point (ºC): -45

5. Boiling point (ºC, normal pressure): 216

6. Refractive index (20ºC): 1.4224

7. Viscosity (mPa·s, 20ºC): 3.8

8. Flash point (ºC, opening): 110

9. Liquid phase standard hot melt (J· mol^-1·K^-1): 372.5

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 70ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of evaporation (KJ/mol) :59.83

14. Solubility parameter (J·cm^-3)^0.5: 19.175

15. van der Waals Area (cm²·mol^-1): 1.474×10¹⁰

16. van der Waals volume (cm ³·mol^-1): 103.520

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

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

19. Solubility: Miscible with water and hydrocarbon solvents.

Toxicological data

1. Reproductive toxicity: Oral TDLO for female mice after fertilization: 7500mg/kg for 6-15 days

Oral TDLO for female mice after fertilization: 5gm/kg for 6-15 days

Oral TDLO of female mice after fertilization: 28gm/kg for 6-13 days

Oral TDLO for female rabbits after fertilization: 3500mg/kg for 6-19 days

2. Oral LD50 for rats: 2.5~5mg/kg.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 46.09

2. Molar volume (cm³/mol): 186.0

3. Isotonic specific volume (90.2K ): 429.1

4. Surface tension (dyne/cm): 28.3

5. Polarizability (10^-24cm³): 18.27

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: 4

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: none

6. Topological molecule polar surface area 36.9

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 67.5

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 oxides and moisture. In case of open flame, high heat energy can burn.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from fire sources to prevent explosion. Store away from oxides and water sources.

Synthesis method

None

Purpose

Solvents, special plasticizers.