Cas no 31883-98-4 (3-methylcyclohex-3-en-1-one)

3-methylcyclohex-3-en-1-one structure
3-methylcyclohex-3-en-1-one structure
Product Name:3-methylcyclohex-3-en-1-one
CAS No:31883-98-4
MF:C7H10O
MW:110.153702259064
CID:313862
PubChem ID:520546
Update Time:2025-04-19

3-methylcyclohex-3-en-1-one Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexen-1-one,3-methyl-
    • 3-methylcyclohex-3-en-1-one
    • 3-Cyclohexen-1-one,3-methyl
    • 3-Methyl-3-cyclohexen-1-on
    • 3-Methyl-3-cyclohexen-1-one
    • 3-Methyl-3-cyclohexenon
    • 3-methyl-3-cyclohexenone
    • 3-Methyl-cyclohex-3-enon
    • 3-methyl-cyclohex-3-enone
    • EINECS 250-855-0
    • 3-Methylcyclohex-3-enone
    • 3-Cyclohexen-1-one, 3-methyl-
    • CS-0227205
    • SCHEMBL592826
    • MHBNXZDNKOXHCX-UHFFFAOYSA-N
    • D79894
    • DTXSID50185735
    • MFCD00049189
    • 31883-98-4
    • NS00029190
    • Inchi: 1S/C7H10O/c1-6-3-2-4-7(8)5-6/h3H,2,4-5H2,1H3
    • InChI Key: MHBNXZDNKOXHCX-UHFFFAOYSA-N
    • SMILES: O=C1CC(C)=CCC1

Computed Properties

  • Exact Mass: 110.07300
  • Monoisotopic Mass: 110.073165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 133
  • 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: 8
  • XLogP3: 0.7
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 0.9693
  • Melting Point: -21°C
  • Boiling Point: 201°C (estimate)
  • Flash Point: 55.5°C
  • Refractive Index: 1.4947
  • PSA: 17.07000
  • LogP: 1.68570

3-methylcyclohex-3-en-1-one 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%

3-methylcyclohex-3-en-1-one Pricemore >>

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