Campesterol
Structural formula
| Business number | 0515 |
|---|---|
| Molecular formula | C28H48O |
| Molecular weight | 400.69 |
| label |
24α-Methyl-5-cholesten-3β-ol, 24(R)-Ergost-5-en-3β-ol, (3β,24R)-Ergost-5-en-3-ol, alcohol solvent |
Numbering system
CAS number:474-62-4
MDL number:MFCD00010475
EINECS number:207-484-4
RTECS number:None
BRN number:3216975
PubChem number:24892762
Physical property data
1. Character: White
2. Density (g/m3, 20/4℃): 0.98
3. Relative vapor density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 157.5
5. Boiling point (ºC, normal pressure ): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC ): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Not determined
12. Saturation vapor pressure (kPa, 60ºC): Not determined
13. Heat of combustion (KJ/mol): Not determined Determined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined Determined
19. Solubility: Undetermined
Toxicological data
None
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: 124.58
2. Molar volume (cm3/mol): 408.1
3. Isotonic specific volume (90.2K ): 1010.9
4. Surface tension (dyne/cm): 37.6
5. Polarizability (10-24cm3): 49.38
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 8.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 5
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 20.2
p>
7. Number of heavy atoms: 29
8. Surface charge: 0
9. Complexity: 620
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 9
13. Determine the chemical bond configuration Number of centers: 0
14, Number of uncertain chemical bond stereocenters: 0
15, Number of covalent bond 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 and burley tobacco leaves.
Storage method
Seal and store at -18°C in a ventilated, dry place to avoid contact with other oxides.
Synthesis method
1. Tobacco: FC, 32; FC, 41, 43; FC, 8.
2. Crystallize from acetone.
Purpose
None