Cas no 93206-91-8 (4-(Dodecyloxy)-3-methoxybenzaldehyde)

4-(Dodecyloxy)-3-methoxybenzaldehyde structure
93206-91-8 structure
Product Name:4-(Dodecyloxy)-3-methoxybenzaldehyde
CAS No:93206-91-8
MF:C20H32O3
MW:320.466286659241
CID:999495
PubChem ID:287532
Update Time:2025-04-20

4-(Dodecyloxy)-3-methoxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-dodecoxy-3-methoxybenzaldehyde
    • 3-methoxy-4-dodecyloxybenzaldehyde
    • SCHEMBL5689116
    • DTXSID60301949
    • NSC147585
    • DNOUZCXUTYVRSR-UHFFFAOYSA-N
    • 93206-91-8
    • NSC-147585
    • 4-(dodecyloxy)-3-methoxybenzaldehyde
    • 4-dodecyloxy-3-methoxybenzaldehyde
    • HS-6364
    • 4-(Dodecyloxy)-3-methoxybenzaldehyde
    • Inchi: 1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-15-23-19-14-13-18(17-21)16-20(19)22-2/h13-14,16-17H,3-12,15H2,1-2H3
    • InChI Key: DNOUZCXUTYVRSR-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C=O)=CC=1OC)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 320.235
  • Monoisotopic Mass: 320.235
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 14
  • Complexity: 280
  • 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: 6.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 0.969
  • Boiling Point: 434.2°C at 760 mmHg
  • Flash Point: 208.3°C
  • Refractive Index: 1.5
  • PSA: 35.53000
  • LogP: 5.80740
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