Azelaic acid diisoacid Bis(2-ethylhexyl)azelate

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:103-24-2

MDL number:MFCD00040496

EINECS number:203-091-7

RTECS number:CM2000000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25℃): 0.92

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): -65

5. Boiling point (ºC, normal pressure): 376

6. Boiling point (ºC, 5mmHg): Undetermined

7. Refractive index: 1.447

8. Flash point (ºC): 212

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): 377

11. Vapor pressure (mmHg, 20ºC): Undetermined

12. Saturated vapor pressure (kPa, 237ºC): 0.67

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. Lower explosion limit (%, V/V): 0.4

19. Solubility: insoluble in water.

Toxicological data

1. Skin/Eye irritation: Start stimulating test: rabbit skin contact, 10mg/24hReaction severity, slight reaction; 2. Acute toxicity: rats LD50: 8720 μl/kg; mice intravenous injection LD50: 1060mg/kg; rabbit rabbits Skin contact LD50: 20mL/kg; Rabbit intravenous injection LD50: 640mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 121.33

2. Molar volume (cm³/mol): 448.9

3. Isotonic specific volume (90.2K ): 1070.9

4. Surface tension (dyne/cm): 32.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 48.10

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 8.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 22

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 358

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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 strong oxidants, strong acids, and strong alkalis. This product is non-toxic and has low volatility. Its flash point and ignition point are lower than the boiling point.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Azelaic acid is prepared by ozonation of oleic acid, and then DOZ is obtained by esterification of azelaic acid and 2-ethylhexanol under the catalysis of sulfuric acid. Raw material consumption quota: azelaic acid 500kg/t, 2-ethylhexanol 670kg/t.

Purpose

Used as a plasticizer for polyvinyl chloride, polystyrene and other plastics and elastomers.