Diethylene glycol dibenzoate Diethylene glycol dibenzoate

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:120-55-8

MDL number:MFCD00020679

EINECS number:204-407-6

RTECS number:ID6650000

BRN number:None

PubChem number:24862963

Physical property data

1. Properties: colorless oily liquid.

2. Boiling point (ºC, 0.933kPa): 235~237

3. Relative density (g/mL, 20/4ºC): 1.1751

4 .       Refractive index (20ºC): 1.5488

5.       Flash point (ºC, open cup): 232

6.       Freezing point (ºC): 15.9

7 .       Absolute viscosity (mPa·s, 20ºC): 111.6

8.      Solubility: Soluble in organic solvents, slightly soluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 544mg/kg; rabbit subcutaneous LD50: 20mL/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 85.01

2. Molar volume (cm³/mol): 265.4

3. Isotonic specific volume (90.2K ): 691.3

4. Surface tension (dyne/cm): 45.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 33.70

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: 5

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 61.8

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 322

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. Uncertain number of chemical bond stereocenters: 0

15.Number of covalent bond units: 1

Properties and stability

This product has low toxicity. Oral administration of LD505.44g/kg to rats.

Storage method

Store sealed in a cool place. Packed in iron drums, stored and transported according to general chemical regulations.

Synthesis method

Using diethylene glycol and benzoic acid as raw materials, it is directly esterified and then neutralized, dealcoholized and refined to obtain the finished product. Raw material consumption quota: diethylene glycol 400kg/t; benzoic acid 900kg/t.

Purpose

This product is a plasticizer for polyvinyl chloride, polyvinyl acetate and other resins. It has the characteristics of strong solubility, good compatibility, low volatility, oil resistance, water resistance, light resistance and good pollution resistance. It is suitable for processing. PVC flooring, plasticizer paste, polyvinyl acetate adhesive and synthetic rubber, etc.