Cas no 58502-85-5 (Benzene,2-methyl-1,4-bis(1-methylethyl)-)

Benzene,2-methyl-1,4-bis(1-methylethyl)- structure
58502-85-5 structure
Product Name:Benzene,2-methyl-1,4-bis(1-methylethyl)-
CAS No:58502-85-5
MF:C13H20
MW:176.297904014587
CID:376016
PubChem ID:143557
Update Time:2025-04-19

Benzene,2-methyl-1,4-bis(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-methyl-1,4-bis(1-methylethyl)-
    • 1,4-DI-ISO-PROPYL-2-METHYLBENZENE
    • 2-methyl-1,4-di(propan-2-yl)benzene
    • 1,4-Diisopropyl-2-methylbenzene
    • 1-Methyl-2.5-diisopropyl-benzol
    • 1-methyl-3,5-diisopropylbenzene
    • 58502-85-5
    • DTXSID50207224
    • AM806744
    • FT-0745827
    • AKOS006272393
    • Benzene, 2-methyl-1,4-bis(1-methylethyl)-
    • NS00010780
    • BRXCOIOOGGCKPZ-UHFFFAOYSA-N
    • Inchi: 1S/C13H20/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6-10H,1-5H3
    • InChI Key: BRXCOIOOGGCKPZ-UHFFFAOYSA-N
    • SMILES: C(C)(C)C1C=CC(=CC=1C)C(C)C

Computed Properties

  • Exact Mass: 176.15700
  • Monoisotopic Mass: 176.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 146
  • 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: 4.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.856
  • Boiling Point: 228.7°Cat760mmHg
  • Flash Point: 85.9°C
  • Refractive Index: 1.489
  • PSA: 0.00000
  • LogP: 4.24180
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