Tri(ethylene glycol) monoethyl 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:112-50-5

MDL number:MFCD00020605

EINECS number:203-978-9

RTECS number:KK8950000

BRN number:1700466

PubChem number:24880449

Physical property data

1. Properties: Colorless and odorless viscous liquid.

2. Boiling point (ºC, 101.3kPa): 256

3. Melting point (freezing point) (ºC): -18.7

4. Relative density (g /mL, 20/20ºC): 1.0208

5. Refractive index (20ºC): 1.4376

6. Viscosity (mPa·s, 20ºC): 7.8

7. Flash point (ºC, open): 135

8. Heat of evaporation (KJ/mol): 53.6

9. Specific heat capacity (J/(kg·K)): 2.18

10. Vapor pressure (kPa, 20ºC): 0.00133

11. Vapor pressure (kPa, 130ºC): 1.33

12. Vapor pressure (kPa ,167ºC): 6.67

14. Solubility: miscible with water. Soluble 2% in heptane at 20°C.

Toxicological data

It is slightly toxic and has almost no irritation to eyes and skin. The oral LD50 in rats is 10.6g/kg. Rabbit transdermal LD50 is 8mL/kg.

Ecological data

Molecular structure data

1. Molar refractive index: 45.88

2. Molar volume (cm³/mol): 177.1

3. Isotonic specific volume (90.2K ): 426.1

4. Surface tension (dyne/cm): 33.4

5. Polarizability (10^-24cm³): 18.18

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

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 47.9

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 77.5

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.Quantity: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Used as solvent.