rapeseed sterol
structural formula
| business number | 0516 |
|---|---|
| molecular formula | c28h46o |
| molecular weight | 398.67 |
| label |
5,22-cholestadien-24β-methyl-3β-ol |
numbering system
cas number:474-67-9
mdl number:none
einecs number:207-486-5
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character:undetermined
2. density (g/ m3,25/4℃): undetermined
3. relative steam density (g/cm3,air=1): undetermined
4. melting point (ºc): undetermined
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): 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/log value of water) partition coefficient: undetermined
17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: not determined
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:124.28
2、 molar volume（m3/mol）：400.7
3、 isotonic specific volume (90.2k):996.8
4、 surface tension（dyne/cm)：38.2
5, polarizability（10-24cm3 )：49.27
compute chemical data
1. hydrophobic parameters calculate the reference value (xlogp):8
2. hydrogen bonding number of donors: 1
3. hydrogen bonding number of receptors: 1
4. number of rotatable chemical bonds:4
5. interchange number of isomers:
6. topological molecules polar surface area (tpsa):20.2
7. heavy atom quantity: 29
8. surface charge ：0
9. complexity ：659
10. isotope atomic number:0
11. determine the number of atomic stereocenters:1
12. uncertain number of atomic stereocenters:8
13. determine the number of stereocenters of chemical bonds:1
14. uncertain number of chemical bond stereocenters:0
15. number of covalent bond units: 1
properties and stability
use and store according to specifications, no decomposition will occur, and avoid contact with oxides
storage method
save sealed at 2-8°c, placed in a ventilated, dry place, and avoid contact with other oxides.
synthesis method
none
purpose
none
