Methyl oleate Methyl oleate

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:112-62-9

MDL number:MFCD00009578

EINECS number:203-992-5

RTECS number:RK0895000

BRN number:1727037

PubChem ID:None

Physical property data

1. Properties: colorless or slightly yellow oily liquid.

2. Density (g/mL, 20/4℃): 0.8739

3. Boiling point (ºC): 218.5²⁰

4. Melting point (ºC): -19.9

5. Boiling point (ºC, 0.267kPa): 168~170

6. Boiling point (ºC, 2.66kPa): 218.5

7. Refractive index (20ºC): 1.4522

8. Relative density (20℃, 4℃): 0.8739

9. Relative density (25℃, 4℃): 0.8704

10. Refractive index at room temperature (n²⁵): 1.4502

11. Vapor pressure (mmHg, 205ºC): 10

12. Solubility parameter (J·cm^-3)^0.5: 16.948

13. van der Waals area (cm²·mol^-1): 2.750×10¹⁰

14. van der Waals volume (cm³ ·mol^-1): 202.700

15. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): – 11971.7

16. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -649.9

17. Liquid phase standard combustion heat (enthalpy) )(kJ·mol^-1): -11887.2

18. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -734.5

19. Solubility: Miscible with absolute ethanol and ether, but insoluble in water.

20. Viscosity (mPa·s): 5.5

21. Liquid phase standard hot melt (J·mol^-1·K^{– 1}): 643.4

22. Flash point (ºC): >110

Toxicological data

1. Oncogenicity: mouse transdermal TCLO: 54gm/kg/45W-I

Ecological data

None

Molecular structure data

1. Molar refractive index: 91.890

2. Molar volume (cm³/mol): 339.2

3. Isotonic ratio�� (90.2K): 800.0

4. Surface tension (dyne/cm): 30.9

5. Polarizability (10^-24cm³): 36.43

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 7.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 16

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: 246

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 Number: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stable properties under normal temperature and pressure.

2. Exist in mainstream smoke.

Storage method

Store in a cool and dry place. Storage temperature -20ºC

Synthesis method

1. Obtained from esterification of methanol and oleic acid. Mix oleic acid and methanol, add catalyst concentrated sulfuric acid or p-toluenesulfonic acid, and heat to reflux for 10 hours. Cool, neutralize with sodium methoxide to a pH value of 8-9°C, wash with water until neutral, dry with anhydrous calcium chloride and then distill under reduced pressure to obtain methyl oleate.

Purpose

1. Used as surface-active basic raw material, leather and rubber softener, non-fluorescent mud lubricant for oil exploration, plastic plasticizer, water-repellent agent, toughener of resin, and also used in organic synthesis.

2. Used as an intermediate for detergents, emulsifiers, wetting agents and stabilizers. It is widely used in various emulsified products and also Used as a solvent for fragrances and a lubricant for spray products.