Cas no 17627-49-5 (Menthone)

Menthone structure
Menthone structure
Product Name:Menthone
CAS No:17627-49-5
MF:C10H18O
MW:154.249323368073
CID:2355210
Update Time:2023-04-01

Menthone Chemical and Physical Properties

Names and Identifiers

    • Menthone
    • Inchi: 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
    • InChI Key: NFLGAXVYCFJBMK-UHFFFAOYSA-N
    • SMILES: C1(=O)CC(C)CCC1C(C)C

Computed Properties

  • Exact Mass: 154.136
  • Monoisotopic Mass: 154.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Density: 0.881
  • Boiling Point: 205°Cat760mmHg
  • Flash Point: 72.8°C
  • Refractive Index: 1.45-1.452
  • PSA: 17.07000
  • LogP: 2.64770
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