Cas no 56025-96-8 (cyclohexylcyclohexanone)

cyclohexylcyclohexanone structure
cyclohexylcyclohexanone structure
Product Name:cyclohexylcyclohexanone
CAS No:56025-96-8
MF:C12H20O
MW:180.286603927612
CID:1596180
PubChem ID:41690
Update Time:2025-04-21

cyclohexylcyclohexanone Chemical and Physical Properties

Names and Identifiers

    • cyclohexylcyclohexanone
    • (1,1'-Bicyclohexyl)one
    • AI3-26971
    • 1,1'-bi(cyclohexyl)-2-one
    • 1,1'-bi(cyclohexyl)-4-one
    • NSC22250
    • 92-68-2
    • [1,1'-Bi(cyclohexan)]-4-one
    • CAS-92-68-2
    • 4-cyclohexyl cyclohexanone
    • SCHEMBL510703
    • CYCLOHEXANONE, 4-CYCLOHEXYL-
    • 4-cyclohexylcyclohexan-1-one
    • F20581
    • UNII-6SLH0OPI94
    • AKOS006271461
    • DTXSID8040721
    • [1,1'-Bicyclohexyl]-4-one
    • Tox21_301879
    • (1,1'-Bicyclohexyl)-4-one
    • EN300-181700
    • CHEMBL1866959
    • EINECS 259-950-1
    • 4,4'-bicyclohexanon
    • C 66
    • 6SLH0OPI94
    • 56025-96-8
    • NCGC00164227-01
    • NS00039481
    • NSC 22250
    • NSC-22250
    • MFCD00019468
    • NCGC00164227-02
    • DTXCID6020721
    • NSC33962
    • SY163253
    • NSC-33962
    • Z1198147648
    • bicyclohexyl-4-one
    • bi(cyclohexan)-4-one
    • CS-0237293
    • EINECS 202-178-7
    • NCGC00255565-01
    • C-66
    • 4-Cyclohexylcyclohexanone
    • AI3-04093
    • Q27265449
    • Inchi： 1S/C12H20O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2
    • InChI Key： JLYNSPSTPQAEAX-UHFFFAOYSA-N
    • SMILES： O=C1CCC(CC1)C1CCCCC1

Computed Properties

  • Exact Mass: 180.1515
  • Monoisotopic Mass: 180.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

cyclohexylcyclohexanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Water ;  200 min, 4 MPa, 473 K
Reference
Aqueous Phase Hydroalkylation and Hydrodeoxygenation of Phenol by Dual Functional Catalysts Comprised of Pd/C and H/La-BEA
Zhao, Chen; et al, ACS Catalysis, 2012, 2(12), 2714-2723

cyclohexylcyclohexanone Preparation Products

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