Cas no 1335-09-7 (Heptenol, methyl-)

Heptenol, methyl- structure
Heptenol, methyl- structure
Product Name:Heptenol, methyl-
CAS No:1335-09-7
MF:C8H16O
MW:128.212042808533
CID:138722
Update Time:2024-01-25

Heptenol, methyl- Chemical and Physical Properties

Names and Identifiers

    • Heptenol, methyl-
    • 6-METHYL-5-HEPTEN-2-OL
    • 2-METHYL-2-HEPTEN-6-OL
    • 6-HEPTEN-2-OL,6-METHYL
    • 6-methyl-6-hepten-2-o
    • 6-methyl-6-hepten-2-ol
    • Heptenol,methyl
    • METHYL HEPTENOL
    • methyl-hepteno
    • TIMTEC-BB SBB008067
    • 6-HEPTEN-2-OL,6-METHYL-
    • DL-6-METHYL-5-HEPTEN-2-OL
    • (+/-)-6-METHYL-5-HEPTEN-2-OL
    • methylheptenol
    • Heptenol,methyl-
    • Inchi: 1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
    • InChI Key: OHEFFKYYKJVVOX-UHFFFAOYSA-N
    • SMILES: C(/C)(\C)=C/CCC(O)C

Computed Properties

  • Exact Mass: 128.12000
  • Monoisotopic Mass: 128.120115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 74.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Density: 0.844?g/mL?at 25?°C(lit.)
  • Melting Point: -31.5°C (estimate)
  • Boiling Point: 78?°C14?mm Hg(lit.)
  • Flash Point: 154?°F
  • Refractive Index: n20/D 1.448(lit.)
  • PSA: 20.23000
  • LogP: 2.11360

Heptenol, methyl- Security Information

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