Cas no 18185-81-4 (3-Octen-1-ol)

3-Octen-1-ol structure
3-Octen-1-ol structure
Product Name:3-Octen-1-ol
CAS No:18185-81-4
MF:C8H16O
MW:128.212042808533
CID:213848
PubChem ID:5364475
Update Time:2025-04-19

3-Octen-1-ol Chemical and Physical Properties

Names and Identifiers

    • 3-Octen-1-ol
    • cis-oct-3-en-1-ol
    • oct-3-en-1-ol
    • 3-Octenol
    • Oct-3-en-1-ol (Isomer 2)
    • 18185-81-4
    • 3-Octen-1-ol, (E)-
    • trans-oct-3-en-1-ol
    • 20125-85-3
    • (E)-3-Octen-1-ol
    • CHEBI:168692
    • (E)-Oct-3-en-1-ol
    • ?CIS-3-OCTEN-1-OL
    • DTXSID40885116
    • NS00083991
    • SCHEMBL473592
    • trans-3-Octen-1-Ol
    • EINECS 242-071-2
    • (3E)-oct-3-en-1-ol
    • AI3-07194
    • LMFA05000560
    • EINECS 243-534-1
    • (3E)-3-Octen-1-ol
    • SCHEMBL1129182
    • 3-Octen-1-ol, (3E)-
    • D91844
    • DTXSID4066333
    • SB83900
    • NS00025983
    • FT-0623912
    • N-Butyl3-boronobenzenesulfonamide
    • Inchi: 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
    • InChI Key: YDXQPTHHAPCTPP-AATRIKPKSA-N
    • SMILES: OCC/C=C/CCCC

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: 5
  • Complexity: 67
  • 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
  • XLogP3: 2.4

Experimental Properties

  • Density: 0.845
  • Boiling Point: 188.9°Cat760mmHg
  • Flash Point: 72.4°C
  • Refractive Index: 1.449
  • PSA: 20.23000
  • LogP: 2.11520
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