Cas no 18456-87-6 (5-Isopropyl-1,3-cyclohexanedione)

5-Isopropyl-1,3-cyclohexanedione structure
18456-87-6 structure
Product Name:5-Isopropyl-1,3-cyclohexanedione
CAS No:18456-87-6
MF:C9H14O2
MW:154.206263065338
MDL:MFCD00075263
CID:87955
PubChem ID:24861163
Update Time:2025-09-22

5-Isopropyl-1,3-cyclohexanedione Chemical and Physical Properties

Names and Identifiers

    • 5-Isopropylcyclohexane-1,3-dione
    • 5-isopropyl-1,3-cyclohexanedione
    • 5-iso-Propylcyclohexane-1,3-dione
    • 5-propan-2-ylcyclohexane-1,3-dione
    • 1,3-cylohexanedione
    • 5-isopropyl-1,3-cyclohexadione
    • 5-Isopropyl-1,3-cyclohexanedione hydrate
    • 5-(1-Methylethyl)-1,3-cyclohexanedione
    • 5-(ISOPROPYL)CYCLOHEXANE-1,3-DIONE
    • 5-Isopropyl-1,3-cyclohexanedione hydrate, 99%
    • DUKZQEYDAFUJMK-UHFFFAOYSA-N
    • 5-isopropyl-cyclohexane-1,3-dione
    • 5-(methylethyl)cyclohexane-1,3-dione
    • 5-isopropyl1,3-cyclohexanedione
    • 5-isopropylcyclo hexane-1,3-dione
    • 5-Isopropyl-1,3-cyclohexanedione #
    • 5868AH
    • SBB059704
    • 1,3-Cyclohexanedione
    • DTXSID00340615
    • J-011823
    • 1,3-Cyclohexanedione, 5-isopropyl-
    • D73181
    • 1,3-Cyclohexanedione, 5-(1-methylethyl)-
    • MFCD00075263
    • FT-0737497
    • (+/-)-5-isopropylcyclohexane-1,3-dione
    • CS-0059241
    • A812876
    • 18456-87-6
    • 1,3-Cyclohexanedione,5-(1-methylethyl)-
    • BS-23399
    • SCHEMBL1047817
    • AKOS006221422
    • 5-isopropylcyclohexane-1,3-dione, AldrichCPR
    • DA-37236
    • 5-Isopropyl-1,3-cyclohexanedione
    • MDL: MFCD00075263
    • Inchi: 1S/C9H14O2/c1-6(2)7-3-8(10)5-9(11)4-7/h6-7H,3-5H2,1-2H3
    • InChI Key: DUKZQEYDAFUJMK-UHFFFAOYSA-N
    • SMILES: O=C1CC(CC(C1)C(C)C)=O

Computed Properties

  • Exact Mass: 154.09900
  • Monoisotopic Mass: 154.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 1.2
  • Topological Polar Surface Area: 34.1

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.017±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 63-65?°C (lit.)
  • Boiling Point: 259.1±23.0 oC (760 Torr),
  • Flash Point: 95.6±19.6 oC,
  • Solubility: Slightly soluble (9.3 g/l) (25 o C),
  • PSA: 34.14000
  • LogP: 1.58070
  • Solubility: Uncertain

5-Isopropyl-1,3-cyclohexanedione Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 43
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xi
  • Storage Condition:Sealed in dry,2-8°C

5-Isopropyl-1,3-cyclohexanedione 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%

5-Isopropyl-1,3-cyclohexanedione Pricemore >>

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5-Isopropyl-1,3-cyclohexanedione Production Method

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