3,3,5-trimethylcyclohexane salicylate
structural formula
| business number | 039x |
|---|---|
| molecular formula | c16h22o3 |
| molecular weight | 262.34 |
| label |
heterocyclic compounds |
numbering system
cas number:118-56-9
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character: undetermined
2. density (g/ml,25℃） ：1.05
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc,normal pressure):161-165
6. boiling point (ºc, 12mmhg): not determined
7. refractive index: undetermined
8. flashpoint (ºc): undetermined
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg, ºc): undetermined
12. saturated vapor pressure (kpa, ºc): 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 the partition coefficient for water: undetermined
17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1, moore refractive index: 74.36
2, moore volume (m3/mol):237.2
3、 isotonic specific volume (90.2k) ：607.7
4, surface tension (dyne/cm):43.0
5、 polarizability (10-24cm3):29.47
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 46.5
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 324
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
ly: arial; mso-font-kerning: 0pt; mso-hansi-font-family: arial”>isotonic specific volume (90.2k):607.7
4, surface tension (dyne/cm):43.0
5、 polarizability (10-24cm3):29.47
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 46.5
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 324
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
