Methyl myristate Methyl myristate

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:124-10-7

MDL number:MFCD00008983

EINECS number:204-680-1

RTECS number:None

BRN number:1773739

PubChem number:24896834

Physical property data

1. Properties: colorless liquid

2. Boiling point (ºC): 295

3. Melting point (ºC): 19

4. Relative Density (d²⁰₄₎ : 0.8671

5. Refractive index _(n⁴⁵ _D): 1.425

6. Solubility: Miscible with alcohol, ether, acetone, benzene, chloroform, carbon tetrachloride, insoluble in water.

7. Refractive index at room temperature (n²⁵): 1.4353

8. Relative density (25℃, 4℃): 0.8068^98.9

9. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -9533.16

10. Gas phase standard claims heat ( Enthalpy) (kJ·mol^-1): -656.93

11. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^-1) : -9446.17

12. Liquid phase standard claimed heat (enthalpy) (kJ·mol^-1): -743.92

13 Flash point (ºC) ：＞110

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: May cause inflammation.

On eyes: May cause irritation.

Sensitization: No known sensitizing effects.

Ecological data

General Note

Generally not hazardous to water

Do not discharge material into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 73.31

2. Molar volume (cm³/mol): 279.6

3. Isotonic specific volume (90.2K ): 653.6

4. Surface tension (dyne/cm): 29.8

5. Polarizability (10^-24cm³): 29.06

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: 13

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 166

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

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

Storage method

Store airtight at room temperature. Storage temperature 2~8ºC

Synthesis method

1. Brief description of production method: obtained by esterification of myristate and methanol. Mix 2kg tetradecanoic acid and 3L methanol, add 200ml sulfuric acid, and heat to reflux for 10h. After recovering excess methanol, pour the reactant into cold water to wash away the acidity, then wash with 10% sodium carbonate and water in sequence, and distill under reduced pressure to obtain approximately 1.5kg of finished product.

2. Tobacco: BU, 56; OR, 57; FC, 9, 18; FC, 40.

Purpose

It is used in food flavors such as honey and coconut, as well as in daily flavors. It is also used in organic synthesis, gas chromatography and biochemical research.