Cas no 14018-58-7 (Hydroperoxide,1-methylbutyl)

Hydroperoxide,1-methylbutyl structure
Hydroperoxide,1-methylbutyl structure
Product Name:Hydroperoxide,1-methylbutyl
CAS No:14018-58-7
MF:C5H12O2
MW:104.147582054138
CID:213953
PubChem ID:139664
Update Time:2025-04-19

Hydroperoxide,1-methylbutyl Chemical and Physical Properties

Names and Identifiers

    • Hydroperoxide,1-methylbutyl
    • 2-hydroperoxypentane
    • n-C3H7CH(CH3)OOH
    • Tertiary-Pentylhydroperoxide
    • 1-Methylbutyl hydroperoxide
    • 1-Methylbutyl hydroperoxide #
    • Hydroperoxide, 1-methylbutyl
    • DTXSID70930729
    • 14018-58-7
    • PENTANE-2-PEROXOL
    • SCHEMBL8768772
    • XRIRVAYMWUMXBR-UHFFFAOYSA-N
    • Inchi: 1S/C5H12O2/c1-3-4-5(2)7-6/h5-6H,3-4H2,1-2H3
    • InChI Key: XRIRVAYMWUMXBR-UHFFFAOYSA-N
    • SMILES: O(C(C)CCC)O

Computed Properties

  • Exact Mass: 104.08376
  • Monoisotopic Mass: 104.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 37.1
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 0.903
  • Boiling Point: 152.8°Cat760mmHg
  • Flash Point: 46.2°C
  • Refractive Index: 1.408
  • PSA: 29.46
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