Cas no 107811-49-4 (Benzaldehyde,4-ethoxy-2-(1-methylethoxy)-)

Benzaldehyde,4-ethoxy-2-(1-methylethoxy)- structure
107811-49-4 structure
Product Name:Benzaldehyde,4-ethoxy-2-(1-methylethoxy)-
CAS No:107811-49-4
MF:C12H16O3
MW:208.253643989563
CID:160884
PubChem ID:183880
Update Time:2025-04-19

Benzaldehyde,4-ethoxy-2-(1-methylethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,4-ethoxy-2-(1-methylethoxy)-
    • 4-ethoxy-2-propan-2-yloxybenzaldehyde
    • (4-Ethoxy-2-(1-methylethoxy)phenyl)methanone
    • Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)-
    • DTXSID70148286
    • 107811-49-4
    • Inchi: 1S/C12H16O3/c1-4-14-11-6-5-10(8-13)12(7-11)15-9(2)3/h5-9H,4H2,1-3H3
    • InChI Key: BQTXUEGQKRETKL-UHFFFAOYSA-N
    • SMILES: O(C1C=C(C=CC=1C=O)OCC)C(C)C

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.109944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 191
  • 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
  • Topological Polar Surface Area: 35.5
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.046
  • Boiling Point: 331.8°Cat760mmHg
  • Flash Point: 145.6°C
  • Refractive Index: 1.517
  • PSA: 35.53
  • LogP: 2.68500
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