Methyl linoleate Methyl linoleate
Structural formula
| Business number | 036A |
|---|---|
| Molecular formula | C19H34O2 |
| Molecular weight | 294.47 |
| label |
(Z,Z)-9,12-Octadecadienoic acid methyl ester, Methyl(Z,Z)-9,12-octadecadienoate, Methyl(Z,Z)-9,12-octadecadienoate, Linoleic acid methyl ester, Alicyclic compounds |
Numbering system
CAS number:112-63-0
MDL number:MFCD00009534
EINECS number:203-993-0
RTECS number:None
BRN number:1727614
PubChem number:24896293
Physical property data
1. Properties: light yellow liquid.
2. Density (g/mL, 20℃): 0.8886
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -35
5. Boiling point (ºC, normal pressure): 192 (533.2pa)
6. Boiling point (ºC, 2.7kPa): 215
7. Refractive index (n20D): 1.462
8. Flash Point (ºC): 200
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturation vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol) : Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V) : Undetermined
19. Solubility: Insoluble in water, soluble in ethanol. Miscible with dimethylformamide, grease solvents, etc.
Toxicological data
None
Ecological data
No harm to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 91.96
2. Molar volume (cm3/mol): 332.8
3. Isotonic specific volume (90.2K): 787.2
4. Surface tension (dyne/cm): 31.2
5. Polarizability (10-24cm3): 36.45
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 6.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 15
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 26.3
7. Number of heavy atoms: 21
8. Surface charge: 0
9 , Complexity: 279
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atomic configuration Number of centers: 0
13. Determined number of stereocenters of chemical bonds: 2
14. Uncertain number of stereocenters of chemical bonds: 0
15. Covalent Number of key units: 1
Properties and stability
1. It does not decompose at room temperature and pressure, avoid contact with strong oxidants.
2. Exist in oriental tobacco leaves and mainstream smoke.
3. It is more stable to air oxidation than oleic acid.
Storage method
Store 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. Storage temperature 2~8ºC
Synthesis method
1. Prepared by esterification of linoleic acid and methanol.
2. Tobacco: OR, 26.
Purpose
Used for the preparation of pharmaceuticals and other organic chemical crystals.