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
