Cas no 772-01-0 (1,3-Dioxane, 2-phenyl-)

1,3-Dioxane, 2-phenyl- structure
1,3-Dioxane, 2-phenyl- structure
Product Name:1,3-Dioxane, 2-phenyl-
CAS No:772-01-0
MF:C10H12O2
MW:164.201083183289
CID:564926
PubChem ID:69874
Update Time:2025-04-19

1,3-Dioxane, 2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane, 2-phenyl-
    • 2-phenyl-1,3-dioxane
    • 1,3-Dioxane,2-phenyl
    • 2-Phenyl-1,3-dioxan
    • 2-phenyl-1,4-dioxolane
    • 2-Phenyl-m-dioxane
    • m-Dioxane,2-phenyl
    • phenyl-1,3-dioxane
    • A70K3QI3S7
    • m-Dioxane, 2-phenyl-
    • NSC 71559
    • NSC-71559
    • 772-01-0
    • NCIOpen2_000500
    • 2-Phenyl-[1,3]dioxane
    • EINECS 212-245-2
    • AKOS006274231
    • NSC71559
    • NS00037887
    • SCHEMBL733501
    • 2-phenyl [1,3]dioxane
    • AI3-11755
    • DTXSID9061122
    • UNII-A70K3QI3S7
    • Inchi: 1S/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
    • InChI Key: LNEMDIUSUQPKIP-UHFFFAOYSA-N
    • SMILES: O1CCCOC1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 164.08400
  • Monoisotopic Mass: 164.08373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 124
  • 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: 18.5
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.1110
  • Melting Point: 41°C
  • Boiling Point: 253°C (estimate)
  • Flash Point: 113.2°C
  • Refractive Index: 1.5155 (estimate)
  • PSA: 18.46000
  • LogP: 2.12210
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