Cas no 54100-53-7 (dimethyl 2,5-dimethylterephthalate)

dimethyl 2,5-dimethylterephthalate structure
54100-53-7 structure
Product Name:dimethyl 2,5-dimethylterephthalate
CAS No:54100-53-7
MF:C12H14O4
MW:222.237164020538
CID:939690
PubChem ID:289462
Update Time:2025-04-19

dimethyl 2,5-dimethylterephthalate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 2,5-dimethylterephthalate
    • 2,5-Dimethl-terephthalsaeure-dimethylester
    • 2,5-Dimethyl-s-triazolo< 1,5-a> pyridin
    • 2,5-dimethyl-terephthalic acid dimethyl ester
    • 2,5-dimethylterephthalic acid, dimethyl ester
    • 2,5-Dimethylterephthalsaeure-dimethylester
    • 2,5-Dimethyl-terephthalsaeure-dimethylester
    • 2,7-dimethyl[1,2,4]triazolo[1,5-a]pyridine
    • AC1L5QJM
    • CTK4J1249
    • NCIOpen2_000719
    • NSC79017
    • SureCN7920632
    • NSC-151249
    • SCHEMBL2430255
    • 1,4-Benzenedicarboxylic acid, 2,5-dimethyl-, dimethyl ester
    • DTXSID50968989
    • NSC151249
    • DB-355306
    • AKOS003616762
    • dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate
    • 54100-53-7
    • MDL： MFCD00230807
    • Inchi： 1S/C12H14O4/c1-7-5-10(12(14)16-4)8(2)6-9(7)11(13)15-3/h5-6H,1-4H3
    • InChI Key： XYQCGGPYZALUAE-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C)C(C(=O)OC)=CC=1C)=O

Computed Properties

  • Exact Mass: 222.08922
  • Monoisotopic Mass: 222.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 246
  • 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: 2.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.123
  • Boiling Point: 309.9°C at 760 mmHg
  • Flash Point: 150°C
  • Refractive Index: 1.513
  • PSA: 52.6

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