CAS No.23391-99-3,4,4'-BICYCLOHEXANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23391-99-3
Name:	4,4'-BICYCLOHEXANONE
Article Data:	12

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%.

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