Cas no 60772-80-7 (Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl-)

Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl- structure
60772-80-7 structure
Product Name:Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl-
CAS No:60772-80-7
MF:C12H18O
MW:178.270723819733
CID:495610
PubChem ID:521940
Update Time:2025-04-19

Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl-
    • 1-tert-butyl-2-methoxy-3-methylbenzene
    • Inchi: 1S/C12H18O/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8H,1-5H3
    • InChI Key: XLPWABAEWSNQJE-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C)=CC=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 178.13584
  • Monoisotopic Mass: 178.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 157
  • 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: 9.2?2

Experimental Properties

  • PSA: 9.23

Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3-methyl- Production Method

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