Methyl linoleate Methyl linoleate

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: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 _(n²⁰_D): 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.