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.