Triethylene glycol diacetate Triethylene glycol diacetate
Structural formula
| Business number | 0330 |
|---|---|
| Molecular formula | C10H18O6 |
| Molecular weight | 234.25 |
| label |
Triethylene glycol diacetate, Triethylene glycol diacetate, Tris[ethylene]glycol diacetate, Triethylene glycol diacetate, 2,2′-(Ethylenedioxy)di(ethyl acetate), 2,2’-(1,2-Ethanediylbis(oxy))bis-ethanodiacetate, Plasticizer |
Numbering system
CAS number:111-21-7
MDL number:MFCD00026213
EINECS number:203-846-0
RTECS number:YE4950000
BRN number:1789453
PubChem ID:None
Physical property data
1. Characteristics: Colorless liquid.
2. Density (g/mL,20℃):1.12
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): -50
5. Boiling point (ºC,normal pressure): 286
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC):163
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
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.
Ecological data
Slightly harmful to water.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 55.41
2. Molar volume (m3/mol）：213.2
3. isotonic specific volume (90.2K):518.7
4. Surface Tension (dyne/cm):35.0
5. Polarizability（10-24cm3):21.96
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: 11
5. Number of tautomers: none
6. Topological molecular polar surface area 71.1
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 182
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.
Storage method
Save sealed in a cool, dry place. Ensure that the workspace has good ventilation facilities and is stored away from sources of fire and oxidants.
Synthesis method
None
Purpose
None
（10-24cm3):21.96
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: 11
5. Number of tautomers: none
6. Topological molecular polar surface area 71.1
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 182
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.
Storage method
Save sealed in a cool, dry place. Ensure that the workspace has good ventilation facilities and is stored away from sources of fire and oxidants.
Synthesis method
None
Purpose
None
