cafestol
structural formula
| business number | 050k |
|---|---|
| molecular formula | c20h28o3 |
| molecular weight | 316.42 |
| label |
none yet |
numbering system
cas number:469-83-0
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character: undetermined
2. density (g/ m3,25/4℃): undetermined
3. relative vapor 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 (ºf): undetermined
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa,25ºc): undetermined
2、 molar volume（m3/mol)：256.4
3、 isotonic specific volume (90.2k):697.0
4、 surface tension（dyne/cm)：54.5
5、 polarizability(10-24cm3）：34.95
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.3
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 53.6
7. number of heavy atoms: 23
8. surface charge: 0
9. complexity: 507
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 6
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain 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 in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
synthesis method
none yet
purpose
none yet
nt-kerning: 0pt” lang=en-us>54.5
5、 polarizability(10-24cm3）：34.95
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.3
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 53.6
7. number of heavy atoms: 23
8. surface charge: 0
9. complexity: 507
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 6
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain 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 in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
synthesis method
none yet
purpose
none yet
