Cas no 207394-56-7 (1,4-Benzenedicarboxaldehyde,2-[(3,7-dimethyloctyl)oxy]-5-methoxy-)

1,4-Benzenedicarboxaldehyde,2-[(3,7-dimethyloctyl)oxy]-5-methoxy- structure
207394-56-7 structure
Product Name:1,4-Benzenedicarboxaldehyde,2-[(3,7-dimethyloctyl)oxy]-5-methoxy-
CAS No:207394-56-7
MF:C19H28O4
MW:320.423226356506
CID:241815
PubChem ID:24879893
Update Time:2025-04-19

1,4-Benzenedicarboxaldehyde,2-[(3,7-dimethyloctyl)oxy]-5-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxaldehyde,2-[(3,7-dimethyloctyl)oxy]-5-methoxy-
    • 2-(3,7-dimethyloctoxy)-5-methoxyterephthalaldehyde
    • DTXSID10403588
    • 2-(3,7-dimethyloctyloxy)-5-methoxyterephthalaldehyde
    • 2-Methoxy-5-(3',7'-dimethyloctyloxy)terephthalaldehyde, 98%
    • 207394-56-7
    • starbld0005960
    • 2-METHOXY-5-(3' 7'-DIMETHYLOCTYLOXY)TER&
    • SCHEMBL1203769
    • IPIUNLMDSXJBFQ-UHFFFAOYSA-N
    • 2-(3,7-dimethyloctyloxy)-5-methoxyterephthal-aldehyde
    • 2-((3,7-Dimethyloctyl)oxy)-5-methoxyterephthalaldehyde
    • 2-(3, 7-dimethyloctoxy)-5-methoxyterephthalaldehyde
    • MDL: MFCD03427238
    • Inchi: 1S/C19H28O4/c1-14(2)6-5-7-15(3)8-9-23-19-11-16(12-20)18(22-4)10-17(19)13-21/h10-15H,5-9H2,1-4H3
    • InChI Key: IPIUNLMDSXJBFQ-UHFFFAOYSA-N
    • SMILES: O(C1C=C(C=O)C(=CC=1C=O)OC)CCC(C)CCCC(C)C

Computed Properties

  • Exact Mass: 320.19875937g/mol
  • Monoisotopic Mass: 320.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 11
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Color/Form: Yellow powder
  • Melting Point: 81.0-86.8?°C (lit.)
  • Solubility: Not determined

1,4-Benzenedicarboxaldehyde,2-[(3,7-dimethyloctyl)oxy]-5-methoxy- Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
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