Cas no 17181-49-6 (2-Propanol,1,3-bis(2-methylphenoxy)-)

2-Propanol,1,3-bis(2-methylphenoxy)- structure
17181-49-6 structure
Product Name:2-Propanol,1,3-bis(2-methylphenoxy)-
CAS No:17181-49-6
MF:C17H20O3
MW:272.338905334473
CID:178648
PubChem ID:96701
Update Time:2025-04-19

2-Propanol,1,3-bis(2-methylphenoxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanol,1,3-bis(2-methylphenoxy)-
    • 1,3-bis(2-methylphenoxy)propan-2-ol
    • o-Tolyl-alpha-myanesin
    • 1,3-bis(2-methylphenoxy)-2-propanol
    • 1,3-Bis(o-methylphenoxy)-2-propanol
    • 1,3-Bis(o-tolyloxy)-2-propanol
    • 1,3-bis-o-tolyloxy-propan-2-ol
    • 1.3-Di-o-tolyloxy-propanol-(2)
    • 2-Hydroxy-1.3-di-o-tolyloxy-propan
    • 2-Propanol, 1,3-bis(o-tolyloxy)-
    • BRN 1885228
    • NSC87019
    • 2-Propanol, 1,3-bis(2-methylphenoxy)-
    • DTXSID80169169
    • MLS002694729
    • U6M20MTJ3P
    • NSC 87019
    • NCIOpen2_005413
    • HMS3087M19
    • NSC-87019
    • 17181-49-6
    • SMR001560651
    • UNII-U6M20MTJ3P
    • CHEMBL1897651
    • SCHEMBL18423672
    • Inchi: 1S/C17H20O3/c1-13-7-3-5-9-16(13)19-11-15(18)12-20-17-10-6-4-8-14(17)2/h3-10,15,18H,11-12H2,1-2H3
    • InChI Key: GZSFOYFMSYYKJH-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1C)CC(COC1C=CC=CC=1C)O

Computed Properties

  • Exact Mass: 272.1413
  • Monoisotopic Mass: 272.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 243
  • 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: 4.7
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • Density: 1.11
  • Boiling Point: 417.6°Cat760mmHg
  • Flash Point: 206.3°C
  • Refractive Index: 1.562
  • PSA: 38.69
  • LogP: 3.12210
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