Ethyl oleate Ethyl 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:111-62-6

MDL number:MFCD00009579

EINECS number:203-889-5

RTECS number:RG3715000

BRN number:1727318

PubChem number:24856257

Physical property data

1. Properties: It is a light yellow oily liquid. Has floral and fruity aroma.

2. Density (g/mL, 20/20℃): 0.8735

3. Melting point (ºC): -32

4. Boiling point (ºC ): 216~218 (2kpa)

5. Refractive index (n20ºC): 1.4515

6. Flash point (ºC): >110

7. Viscosity (mPa·s, 25ºC): 3.9

8. Solubility: Insoluble in water, can be mixed with ethanol and ether.

9. Relative density (20℃, 4℃): 0.8720

10. Relative density (25℃, 4℃): 0.8686

11. Liquid Phase standard combustion heat (enthalpy) (kJ·mol^-1): -11884.7

12. Liquid phase standard claimed heat (enthalpy) (kJ·mol^-1 ):-737.0

Toxicological data

1. Acute toxicity: rat oral LD50: >5gm/kg; rabbit dermal LD50: >5gm/kg

2. Slightly irritating.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 96.53

2. Molar volume (cm³/mol): 355.7

3. Isotonic specific volume (90.2K ): 839.7

4. Surface tension (dyne/cm): 31.0

5. Polarizability (10^-24cm³): 38.27

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 17

5. Number of tautomers:

6. TopologyArion polar surface area (TPSA): 26.3

7, Number of heavy atoms: 22

8, Surface charge: 0

9, Complexity: 258

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 1

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Prohibit contact with air, light, and oxidants. Avoid eye and skin contact.

2. Found in flue-cured tobacco leaves.

3. Naturally found in cocoa, buckwheat, certain fruits and alcohol.

Storage method

Packed in iron drums or glass bottles. It should be stored in a cool, ventilated warehouse, away from fire and heat sources. Storage temperature-20ºC

Synthesis method

1. Obtained from the esterification of oleic acid and ethanol. Add sulfuric acid to the ethanol solution of oleic acid and heat to reflux for 10 hours. Cool, neutralize with sodium methoxide to pH 8-9, wash with water until neutral, add anhydrous calcium chloride to dry, filter, and obtain ethyl oleate. 2. Tobacco: FC, 18.

Purpose

1. Mainly used as lubricants, water-repellent agents, solvents, oily carriers and synthetic resin tougheners, etc. As a chemical reagent, it is mainly used as a gas chromatography stationary liquid (maximum operating temperature 120°C).

2. Can be used in daily chemical essence and food flavor formulas. Commonly used in baked goods, frozen dairy products, and beverages.