Cas no 17844-66-5 ([1,1'-Bicyclohexyl]-3,5-dione)

[1,1'-Bicyclohexyl]-3,5-dione structure
[1,1'-Bicyclohexyl]-3,5-dione structure
Product Name:[1,1'-Bicyclohexyl]-3,5-dione
CAS No:17844-66-5
MF:C12H18O2
MW:194.270123958588
CID:122591
PubChem ID:21551705
Update Time:2025-04-18

[1,1'-Bicyclohexyl]-3,5-dione Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bicyclohexyl]-3,5-dione
    • 5-cyclohexylcyclohexane-1,3-dione
    • BICYCLOHEXYL-3,5-DIONE
    • 3.5-Dioxo-dicyclohexyl
    • Bicyclohexyl-3,5-dion
    • [1,1'-Bi(cyclohexane)]-3,5-dione
    • SCHEMBL5471447
    • AKOS019913526
    • DTXSID90615809
    • 17844-66-5
    • Inchi: 1S/C12H18O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h9-10H,1-8H2
    • InChI Key: LCYBPPUTWMUXAX-UHFFFAOYSA-N
    • SMILES: O=C1CC(CC(C1)C1CCCCC1)=O

Computed Properties

  • Exact Mass: 222.08900
  • Monoisotopic Mass: 194.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 2.6
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 1.081
  • Boiling Point: 333.1°C at 760 mmHg
  • Flash Point: 124.9°C
  • Refractive Index: 1.509
  • PSA: 68.28000
  • LogP: 0.86300

[1,1'-Bicyclohexyl]-3,5-dione Customs Data

  • HS CODE:2914299000
  • Customs Data:

    China Customs Code:

    2914299000

    Overview:

    2914299000. Other cycloalkanones without other oxygen-containing groups\Cyclic enone or cyclic terpenone. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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