Cas no 7356-06-1 (Benzene,[[(6,6-diethoxyhexyl)oxy]methyl]-)

Benzene,[[(6,6-diethoxyhexyl)oxy]methyl]- structure
7356-06-1 structure
Product Name:Benzene,[[(6,6-diethoxyhexyl)oxy]methyl]-
CAS No:7356-06-1
MF:C17H28O3
MW:280.402425765991
CID:572637
PubChem ID:230615
Update Time:2025-04-19

Benzene,[[(6,6-diethoxyhexyl)oxy]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,[[(6,6-diethoxyhexyl)oxy]methyl]-
    • 6-benzyloxy-hexanal-diethylacetal;6-Benzyloxy-hexanal-diaethylacetal;
    • NSC-25692
    • 6,6-diethoxyhexoxymethylbenzene
    • 7356-06-1
    • DTXSID80282387
    • NSC25692
    • (6,6-Diethoxyhexyloxymethyl)benzene
    • Inchi: 1S/C17H28O3/c1-3-19-17(20-4-2)13-9-6-10-14-18-15-16-11-7-5-8-12-16/h5,7-8,11-12,17H,3-4,6,9-10,13-15H2,1-2H3
    • InChI Key: LLUDPHAETRUJBA-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCCCCOCC1C=CC=CC=1)OCC

Computed Properties

  • Exact Mass: 280.20400
  • Monoisotopic Mass: 280.204
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 12
  • Complexity: 196
  • 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: 3.6
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • Density: 0.965
  • Boiling Point: 362.9°C at 760 mmHg
  • Flash Point: 145.2°C
  • Refractive Index: 1.481
  • PSA: 27.69000
  • LogP: 4.16270
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