Cas no 38836-21-4 (4-Hydroxy-5-methyl-2-hexanone)

4-Hydroxy-5-methyl-2-hexanone structure
4-Hydroxy-5-methyl-2-hexanone structure
Product Name:4-Hydroxy-5-methyl-2-hexanone
CAS No:38836-21-4
MF:C7H14O2
MW:130.184862613678
CID:54921
PubChem ID:256348
Update Time:2025-04-18

4-Hydroxy-5-methyl-2-hexanone Chemical and Physical Properties

Names and Identifiers

    • 4-Hydroxy-5-methyl-2-hexanone
    • 4-hydroxy-5-methylhexan-2-one
    • DTXSID80292481
    • 5-methyl-4-hydroxy-2-hexanone
    • BXQODTBLKZARFD-UHFFFAOYSA-N
    • NCIOpen2_001047
    • 4-Hydroxy-5-methyl-2-hexanone #
    • 2-Hexanone, 4-hydroxy-5-methyl-
    • NSC-83147
    • NSC83147
    • 38836-21-4
    • SCHEMBL3912069
    • Inchi: 1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3
    • InChI Key: BXQODTBLKZARFD-UHFFFAOYSA-N
    • SMILES: OC(CC(C)=O)C(C)C

Computed Properties

  • Exact Mass: 130.09942
  • Monoisotopic Mass: 130.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 97.1
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.933
  • Boiling Point: 199.5°C at 760 mmHg
  • Flash Point: 78°C
  • Refractive Index: 1.429
  • PSA: 37.3

4-Hydroxy-5-methyl-2-hexanone Related Literature

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