Cas no 1481100-04-2 (Benzeneethanol, β,3-dimethyl-)

Benzeneethanol, β,3-dimethyl- structure
Benzeneethanol, β,3-dimethyl- structure
Product Name:Benzeneethanol, β,3-dimethyl-
CAS No:1481100-04-2
MF:C10H14O
MW:150.217563152313
MDL:MFCD18909017
CID:2102451
PubChem ID:21478686
Update Time:2024-03-01

Benzeneethanol, β,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2-(3-METHYL-PHENYL)-PROPAN-1-OL
    • 2-(m-tolyl)propan-1-ol
    • 2-(3-methylphenyl)propan-1-ol
    • CID 21478686
    • Benzeneethanol, β,3-dimethyl-
    • MDL: MFCD18909017
    • Inchi: 1S/C10H14O/c1-8-4-3-5-10(6-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
    • InChI Key: RMKUOUCSEVQHSS-UHFFFAOYSA-N
    • SMILES: OCC(C)C1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 150.104465066g/mol
  • Monoisotopic Mass: 150.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 111
  • 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
  • Topological Polar Surface Area: 20.2
  • XLogP3: 2.2

Experimental Properties

  • Density: 0.979±0.06 g/cm3(Predicted)
  • Boiling Point: 215.8±8.0 °C(Predicted)
  • pka: 14.87±0.10(Predicted)

Benzeneethanol, β,3-dimethyl- Pricemore >>

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