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| CAS No.: | 23391-99-3 |
|---|---|
| Name: | 4,4'-BICYCLOHEXANONE |
| Molecular Structure: | |
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| Formula: | C12H18O2 |
| Molecular Weight: | 194.274 |
| Synonyms: | [Bicyclohexyl]-4,4'-dione(6CI,8CI);4,4'-Bi[cyclohexanone];4,4'-Bis(cyclohexanone);4,4'-Dioxo-2,2',3,3',5,5',6,6'-octahydro-1,1'-biphenyl;Bis(4-cyclohexanone);Bis(4-oxocyclohexyl);NSC 100201; |
| Density: | 1.081 g/cm3 |
| Melting Point: | 118 °C |
| Boiling Point: | 327.8 °C at 760 mmHg |
| Flash Point: | 122.9 °C |
| Safety: | 24/25 |
| PSA: | 34.14000 |
| LogP: | 2.50500 |
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Specification
The [1,1'-Bicyclohexyl]-4,4'-dione, with the CAS registry number 23391-99-3, is also known as 4,4'-Bicyclohexanone. This chemical's molecular formula is C12H18O2 and molecular weight is 194.27. Its systematic name is called 1,1'-bi(cyclohexyl)-4,4'-dione. When you are using this chemical, please be cautious about it. You should avoid contacting it with skin and eyes.
Physical properties of [1,1'-Bicyclohexyl]-4,4'-dione: (1)ACD/LogP: 0.69; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.509; (5)Molar Refractivity: 53.64 cm3; (6)Molar Volume: 179.5 cm3; (7)Surface Tension: 42.2 dyne/cm; (8)Density: 1.081 g/cm3; (9)Flash Point: 122.9 °C; (10)Enthalpy of Vaporization: 57.02 kJ/mol; (11)Boiling Point: 327.8 °C at 760 mmHg; (12)Vapour Pressure: 0.000197 mmHg at 25°C.
Uses of [1,1'-Bicyclohexyl]-4,4'-dione: it can be used to produce [3,3']bi[7,12-dioxa-spiro[5.6]dodecyl] by heating. This reaction will need reagent TsOH and solvent toluene with reaction time of 3.5 hours. The yield is about 60%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(CC1)C2CCC(=O)CC2
(2)InChI: InChI=1/C12H18O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-10H,1-8H2
(3)InChIKey: OQIDYCVWAFZRTR-UHFFFAOYAE