Butyl 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:142-77-8

MDL number:MFCD00053819

EINECS number:205-559-6

RTECS number:RG3711000

BRN number:None

PubChem number:24897934

Physical property data

1. Properties: light yellow oily liquid with mild odor.

2. Density (g/mL, 20/4℃): 0.8704

3. Melting point (ºC): -26.4

4. Boiling point (ºC ,2kPa): 227-228

5. Refractive index (25ºC): 1.4480

6. Flash point (ºC): 180

7. Viscosity ( mPa·s, 20ºC): 8.2

8. Solubility: Miscible with ethanol, vegetable oil, and mineral oil, but insoluble in water.

9. Relative density (20℃, 4℃): 0.8630

10. Relative density (25℃, 4℃): 0.8638

11. Normal temperature Refractive index (n²⁵): 1.4480

12. Boiling point (ºC): 227.5¹⁵

13. Liquid phase standard Heat of combustion (enthalpy) (kJ·mol^-1): -13842.8

14. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1)：-816.9

Toxicological data

Low toxicity.

Ecological data

Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 105.80

2. Molar volume (cm³/mol): 388.7

3. Isotonic specific volume (90.2K ): 919.3

4. Surface tension (dyne/cm): 31.2

5. Polarizability (10^-24cm³): 41.94

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 8.8

2. Number of hydrogen bond donors: 0

3, Number of hydrogen bond acceptors: 2

4, Number of rotatable chemical bonds: 19

5, Topological molecular polar surface area (TPSA): 26.3

6 , Number of heavy atoms: 24

7, Surface charge: 0

8, Complexity: 284

9, Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 0

11. Uncertain number of atomic stereocenters: 0

12. Determine the number of chemical bond stereocenters: 1

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13. Number of uncertain stereocenters of chemical bonds: 0

14. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Incompatible materials: oxidizing agents

Storage method

Keep sealed in a cool place. Store at 2-8ºC.

Synthesis method

Originated from the esterification of oleic acid and butanol.

Purpose

1. Used as plasticizer, solvent, lubricant and waterproofing agent, used as oily additive in No. 30 mechanical oil, wetting agent on dye surface, plasticizer of chloroprene rubber and ethyl cellulose, etc.