Methyl palmitate Methyl palmitate

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:112-39-0

MDL number:MFCD00008994

EINECS number:203-966-3

RTECS number:None

BRN number:1780973

PubChem number:24898607

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 25℃): 0.8247

3. Relative density (25℃, 4℃): 0.8354 ⁶⁰

4. Melting point (ºC): 30~34

5. Boiling point (ºC): 417, 163~164 (533.2pa)

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6. Relative density (20℃, 4℃): 0.8804

7. Refractive index at room temperature (n²⁵): 1.4512

8. Flash point (ºC): >110

9. Refractive index at room temperature (n²⁰): 1.4512

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 70ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Insoluble in water, soluble in ethanol, ether, benzene, etc.

Toxicological data

None yet

Ecological data

No harm to water bodies.

Molecular structure data

1. Molar refractive index: 82.58

2. Molar volume (cm³/mol): 312.6

3. Isotonic specific volume (90.2K ): 733.2

4. Surface tension (dyne/cm): 30.2

5. Polarizability (10^-24cm³): 32.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

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: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 190

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxides.

2. Found in flue-cured tobacco leaves, burley tobacco leaves, and oriental tobacco leaves.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire. Store away from oxidizing agents. Storage temperature 2~8ºC

Synthesis method

1. Using refined edible palm oil as raw material, palmitic acid is obtained through acidification hydrolysis, vacuum distillation, and freezing crystallization. Then palmitic acid and methanol are esterified in the presence of catalyst sodium methoxide to obtain methyl palmitate.

2. Tobacco: OR, 57; BU, 14; FC, 9, 18, 40; BU, OR, 18.

Purpose

Used to produce fatty alcohols, ester homologues, alkanolamides, sulfo fatty acid methyl esters, sugar esters and other derivatives.