2-Cyclohexylcyclohexanone
Structural formula
| Business number | 022B |
|---|---|
| Molecular formula | C12H20O |
| Molecular weight | 180.29 |
| label |
1,1′-Dicyclohexyl-2-one, 2-cyclohexylcyclohexanone, 1,1’-Bicyclohexyl-2-one |
Numbering system
CAS number:90-42-6
MDL number:None
EINECS number:201-991-4
RTECS number:DT7400000
BRN number:None
PubChem ID:None
Physical property data
1. Character: light purple crystal
2. Density (g/mL, 25/4℃): 0.9696
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): -32
5. Boiling point (ºC, normal pressure): 264
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index at room temperature (n25): 1.4877
8. Flash point (ºC): > 110
9. Specific 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
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14. Critical temperature (ºC): 513.85
15. Critical pressure (KPa): Undetermined
16. Oil-water (octanol/water) distribution coefficient Log value: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water, soluble in alcohol, ether and benzene
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 53.51
2. Molar volume (cm3/mol): 183.0
3. Isotonic specific volume (90.2K ): 452.7
4. Surface tension (dyne/cm): 37.4
5. Polarizability (10-24cm3)：21.21
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Extension�Molecular polar surface area 17.1
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 180
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 1
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be stored in a sealed, cool, dry place.
Synthesis method
None
Purpose
Organic Synthesis.
