Cas no 14281-58-4 (4-Decanone,7-hydroxy-7-methyl-)

4-Decanone,7-hydroxy-7-methyl- structure
14281-58-4 structure
Product Name:4-Decanone,7-hydroxy-7-methyl-
CAS No:14281-58-4
MF:C11H22O2
MW:186.291183948517
CID:197587
PubChem ID:229699
Update Time:2025-04-19

4-Decanone,7-hydroxy-7-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Decanone,7-hydroxy-7-methyl-
    • 7-hydroxy-7-methyldecan-4-one
    • AC1L5HVY
    • AG-J-20983
    • AR-1H3600
    • CTK4C3319
    • NSC23538
    • NSC-23538
    • 14281-58-4
    • DTXSID00281938
    • Inchi: 1S/C11H22O2/c1-4-6-10(12)7-9-11(3,13)8-5-2/h13H,4-9H2,1-3H3
    • InChI Key: HBVNIHHSIHEIKC-UHFFFAOYSA-N
    • SMILES: OC(C)(CCC)CCC(CCC)=O

Computed Properties

  • Exact Mass: 186.16206
  • Monoisotopic Mass: 186.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 154
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.909
  • Boiling Point: 285.1°Cat760mmHg
  • Flash Point: 119.6°C
  • Refractive Index: 1.445
  • PSA: 37.3
  • LogP: 2.68690
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