ethylene glycol di-n-butyrate ethylene glycol di-n-butyrate

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:105-72-6

mdl number:mfcd00059412

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: undetermined

2. density (g/ml, 25℃): 1.024

3. relative density (20℃, 4℃): 1.0005

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 240

6. refractive index at room temperature (n ²⁰): 1.4262

7. refractive index: 1.424

8. flash point (ºc): undetermined

9. specific rotation (º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12. saturated vapor pressure (kpa, 25ºc): 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: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 51.92

2. molar volume (cm³/mol): 200.5

3. isotonic specific volume (90.2k ): 479.4

4. surface tension (dyne/cm): 32.6

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 20.58

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

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 52.6

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 157

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

none

storage method

none

synthesis method

produced by the esterification of ethylene glycol and butyric acid.

purpose

used as a plasticizer for cellulose resins.