Structural formula
Business number | 059E |
---|---|
Molecular formula | C28H56O2 |
Molecular weight | 424.74 |
label |
octadecanoic acid, 28 acid, montanic acid, Montanic acid, acidic solvent |
Numbering system
CAS number:506-48-9
MDL number:MFCD00002812
EINECS number:208-041-8
RTECS number:None
BRN number:1801616
PubChem number:24857156
Physical property data
1. Properties: Crystal
2. Density (g/ cm3, 25/4℃): 0.8191
3. Relative vapor density (g/cm3, air=1): Not determined
4. Melting point (ºC): 91-93
5. Boiling point (ºC, Normal pressure): 295
6. Boiling point (ºC, 8kPa): 430.5
7. Refractive index: Undetermined
8. Flash point (ºC) : 192.5
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/water) distribution Log value of coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Insoluble in water. Soluble in ethanol, acetone, etc.
Toxicological data
None yet
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 133.33
2. Molar volume (cm3/mol): 485.3
3. Isotonic specific volume (90.2K ): 1167.9
4. Surface tension (dyne/cm): 33.5
5. Polarizability (10-24cm3): 52.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 26
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 30
8. Surface charge: 0
9. Complex…��:327
10. Number of isotope atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain atomic stereocenter Quantity: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Covalent bonds Number of units: 1
Properties and stability
1. Use and store according to specifications. It will not decompose and avoid contact with oxides.
2. Found in flue-cured tobacco leaves.
Storage method
Seal and store in a ventilated, dry environment
Synthesis method
1. Prepared by oxidation of octacosanol.
2. Tobacco: FC, 15, 41.
Purpose
Used in organic synthesis.