Methyl stearate Methyl stearate

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:112-61-8

MDL number:MFCD00009005

EINECS number:203-990-4

RTECS number:WI4460000

BRN number:1786213

PubChem number:24899648

Physical property data

1. Properties: liquid to semi-solid.

2. Density (g/mL, 20℃): 0.8498

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 39~42

5. Boiling point (ºC, normal pressure): 443, 181~182 (533.2pa)

6. Boiling point (ºC, normal pressure) 2.0kPa): 215

7. Refractive index _(n⁴⁰_D): 1.4367

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): 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

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

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

18. The lower limit of explosion (%) ,V/V): Undetermined

19. Solubility: Insoluble in water, soluble in ether and alcohol.

Toxicological data

1. Oncogenicity: Mouse subcutaneous TDLO: 5200mg/kg/26W-I

Mouse subcutaneous TDLO: 5200mg/kg/26W-I

Ecological data

Slightly harmful to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 91.84

2. Molar volume (cm³/mol): 345.6

3. Isotonic specific volume (90.2K): 812.7

4. Surface tension (dyne/cm): 30.5

5. Polarizability (10^-24cm³): 36.41

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: 17

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9.Complexity: 214

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain atomic configuration Number of centers: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent Number of key units: 1

Properties and stability

1. It does not decompose under normal temperature and pressure. Avoid contact with strong oxidants, strong acids and strong alkali.

2. Found in tobacco leaves.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials. Storage temperature -20ºC

Synthesis method

1. Prepared by esterification of stearic acid and methanol.

2. Tobacco: OR, 26; FC, 9, 18.

Purpose

Used in organic synthesis.