Methyl laurate Methyl laurate

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:111-82-0

MDL number:MFCD00008966

EINECS number:203-911-3

RTECS number:OF0670000

BRN number:1767780

PubChem ID:None

Physical property data

1. Properties: colorless oily liquid

2. Density (g/mL, 35℃): 0.8702

3. Relative density: 0.8702 (20℃)

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4. Melting point (ºC): 4.5~5

5. Boiling point (ºC, 102kpa): 267

6. Boiling point (ºC, 2.0kpa): 141

7. Solubility: Miscible with ethanol, ether, benzene and acetone, but insoluble in water.

8. The refractive index at room temperature (n²⁰): 1.4319

9. The refractive index at room temperature (n²⁵): 1.4220

10. Solubility parameter (J·cm^-3)^0.5: 18.867

11. van der Waals area ( cm²·mol^-1): 1.994×10¹⁰

12. van der Waals volume (cm³·mol^-1): 144.840

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

14. Critical temperature (ºC): 438.85

15. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -8215.54

16. Gas phase standard claim Heat (enthalpy) (kJ·mol^-1): -5615.88

17. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -8138.38

18. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -693.04

19. Flash point (ºC):＞109

Toxicological data

None

Ecological data

This substance is not harmful to water bodies.

Molecular structure data

1. Molar refractive index: 64.05

2. Molar volume (cm³/mol): 246.6

3. Isotonic specific volume (90.2K ): 574.0

4. Surface tension (dyne/cm): 29.3

5. Polarizability (10^-24cm³): 25.39

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. RotatableNumber of chemical bonds: 11

5. Number of tautomers: None

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 144

10. Number of isotope atoms: 0

11. Determine Number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

1. No contact with strong oxidants.

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

Storage method

Packed in galvanized drums. Store in a cool, dry place. Keep away from fire and heat sources.

Synthesis method

1. Obtained from the esterification of lauric acid and methanol. Heat the mixture of lauric acid, anhydrous methanol and concentrated sulfuric acid to reflux for 18 hours, pour the reaction into water, and separate the ester layer. Wash with water, saturated sodium bicarbonate solution and water in sequence. After drying, distillation is carried out, and the 261-263°C fraction is collected, which is methyl dodecanoate, with a yield of 81%.

2. Tobacco: BU, 56; OR, 26; FC, 18, 40.

Purpose

Mainly used in flavor additives and medicine. It is used as an intermediate in organic synthesis to produce fine chemicals and food flavors, and is mainly used to prepare milk flavors.