Cas no 351002-96-5 (Benzenemethanol,2,6-diethoxy-)

Benzenemethanol,2,6-diethoxy- structure
Benzenemethanol,2,6-diethoxy- structure
Product Name:Benzenemethanol,2,6-diethoxy-
CAS No:351002-96-5
MF:C11H16O3
MW:196.242943763733
CID:302868
PubChem ID:4377705
Update Time:2025-04-19

Benzenemethanol,2,6-diethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,2,6-diethoxy-
    • (2,6-Diethoxyphenyl)methanol
    • 2,6-DIETHOXY BENZYL ALCOHOL
    • AC1N8ZXS
    • ACMC-20ao8z
    • CTK8C6098
    • I01-17695
    • SureCN4168893
    • AKOS015889036
    • starbld0037300
    • 351002-96-5
    • SCHEMBL4168893
    • 2,6-DIETHOXYBENZYL ALCOHOL
    • DTXSID50402595
    • PSMRNOMLVFGPQS-UHFFFAOYSA-N
    • 2 6-DIETHOXYBENZYL ALCOHOL 97
    • J-019901
    • Inchi: 1S/C11H16O3/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12/h5-7,12H,3-4,8H2,1-2H3
    • InChI Key: PSMRNOMLVFGPQS-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC=C(C=1CO)OCC

Computed Properties

  • Exact Mass: 196.10998
  • Monoisotopic Mass: 196.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 136
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.7
  • Topological Polar Surface Area: 38.7A^2

Experimental Properties

  • Color/Form: solid
  • Density: 1.1±0.1 g/cm3
  • Melting Point: 41-45?°C (lit.)
  • Boiling Point: 303.7±27.0 °C at 760 mmHg
  • Flash Point: >230?°F
  • PSA: 38.69
  • LogP: 1.97630
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

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