Cas no 3991-61-5 (Benzene,1-methyl-2-phenoxy-)

Benzene,1-methyl-2-phenoxy- structure
Benzene,1-methyl-2-phenoxy- structure
Product Name:Benzene,1-methyl-2-phenoxy-
CAS No:3991-61-5
MF:C13H12O
MW:184.233783721924
CID:307842
PubChem ID:77610
Update Time:2025-04-19

Benzene,1-methyl-2-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-2-phenoxy-
    • 1-methyl-2-phenoxybenzene
    • 2-Methylphenyl phenyl ether
    • 2-phenoxytoluene
    • Benzene,1-methyl-2-phenoxy
    • Ether,phenyl o-tolyl
    • o-MeC6H4OH5C6
    • o-Methylphenyl phenyl ether
    • o-Phenoxytoluene
    • phenoxytoluene
    • phenyl 2-methylphenyl ether
    • Phenyl o-tolyl ether
    • DTXSID10192965
    • WCOYPFBMFKXWBM-UHFFFAOYSA-N
    • Ether, phenyl o-tolyl
    • EINECS 223-637-8
    • SCHEMBL232763
    • 1-Methyl-2-(phenoxy)benzene
    • AI3-02143
    • NS00022147
    • 1-Methyl-2-phenoxybenzene #
    • Benzene, 1-methyl-2-phenoxy-
    • NSC 71399
    • NSC71399
    • 3991-61-5
    • NSC-71399
    • Inchi: 1S/C13H12O/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3
    • InChI Key: WCOYPFBMFKXWBM-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 184.08900
  • Monoisotopic Mass: 184.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 4.3
  • Topological Polar Surface Area: 9.2A^2

Experimental Properties

  • Density: 1.0480
  • Melting Point: 21.7°C
  • Boiling Point: 263.5°C (estimate)
  • Flash Point: 106.9°C
  • Refractive Index: 1.5727 (estimate)
  • PSA: 9.23000
  • LogP: 3.78730

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