Cas no 93892-07-0 (1,1-dibutoxyhexane)

1,1-dibutoxyhexane structure
1,1-dibutoxyhexane structure
Product Name:1,1-dibutoxyhexane
CAS No:93892-07-0
MF:C14H30O2
MW:230.386805057526
CID:1000285
PubChem ID:208863
Update Time:2025-04-20

1,1-dibutoxyhexane Chemical and Physical Properties

Names and Identifiers

    • 1,1-dibutoxyhexane
    • EINECS 299-487-2
    • 93892-07-0
    • NS00039721
    • SCHEMBL1897872
    • Hexane, 1,1-dibutoxy-
    • DTXSID10239829
    • hexanal dibutyl acetal
    • XXIXJIRNHGJXBS-UHFFFAOYSA-N
    • Inchi: 1S/C14H30O2/c1-4-7-10-11-14(15-12-8-5-2)16-13-9-6-3/h14H,4-13H2,1-3H3
    • InChI Key: XXIXJIRNHGJXBS-UHFFFAOYSA-N
    • SMILES: O(CCCC)C(CCCCC)OCCCC

Computed Properties

  • Exact Mass: 230.225
  • Monoisotopic Mass: 230.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 12
  • Complexity: 116
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 0.844
  • Boiling Point: 234.6°C at 760 mmHg
  • Flash Point: 52.3°C
  • Refractive Index: 1.429
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