Methyl stearate Methyl stearate
Structural formula
| Business number | 0368 |
|---|---|
| Molecular formula | C19H38O2 |
| Molecular weight | 298.51 |
| label |
Methyl octadecanoate, Methyl octadecanoate, Octadecanoic acid,methyl ester |
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 (n40D): 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.