Dimethyl sebacate Dimethyl sebacate
Structural formula
| Business number | 02U2 |
|---|---|
| Molecular formula | C12H22O4 |
| Molecular weight | 230.30 |
| label |
dimethyl sebacate, dimethyl sebumate, dimethyl secretate, Decadioic acid dimethyl ester, Dimethyl octane-1,8-dicarboxylate, 1,8-Octanedicarboxylic acid-bis-methyl ester, Methyl sebacate, Dimethyl sebacate, Dimethyldecanedioate, Decanedioic acid dimethyl ester, Sebacic acid dimethyl ester, plasticizer, Softener |
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.