Dimethyl sebacate Dimethyl sebacate

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:106-79-6

MDL number:MFCD00008472

EINECS number:203-431-4

RTECS number:None

BRN number:1785523

PubChem ID:None

Physical property data

1. Properties: Colorless to light yellow liquid or needle-shaped and diamond-shaped crystals.

2. Density (g/mL, 20/4ºC): 0.986

3. Relative vapor density (g/mL, air=1): 7.95

4. Melting point (ºC): 28

5. Boiling point (ºC, normal pressure): 284

6. Relative density (25℃, 4℃): 0.9882 ²⁸

7. Refractive index at room temperature (n²⁵): 1.4355²⁸

8. Flash point ( ºC): 145

9. Specific optical rotation (ºC): Undetermined

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

11. Vapor pressure (mmHg, ºC): Not determined

12. Saturated vapor pressure (kPa, 104.0ºC): 0.13

13. Heat of combustion (KJ/mol): Not determined Determined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined Confirm

19. Solubility: Insoluble in water, soluble in ether.

Toxicological data

Low toxicity.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 61.19

2. Molar volume (cm³/mol): 233.5

3.�� Isotonic specific volume (90.2K): 559.0

4. Surface tension (dyne/cm): 32.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 24.25

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: 4

4. Number of rotatable chemical bonds: 11

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 179

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 strong oxidizing agents. Avoid contact with eyes and skin.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. 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

None yet

Purpose

Can be used as plasticizer, softener and solvent for cellulose resin, vinyl resin and synthetic rubber. It is widely used as the main raw material for the production of light stabilizers UV-770, UV-750, UV-123, etc. It can also be used as an intermediate in organic synthesis.