Cas no 108593-44-8 (Methyl 3-methoxy-5-methylbenzoate)

Methyl 3-methoxy-5-methylbenzoate structure
108593-44-8 structure
Product Name:Methyl 3-methoxy-5-methylbenzoate
CAS No:108593-44-8
MF:C10H12O3
MW:180.200483322144
MDL:MFCD09833214
CID:894107
PubChem ID:13834966
Update Time:2025-04-19

Methyl 3-methoxy-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-methoxy-5-methylbenzoate
    • 3-methoxy-5-methyl-benzoic acid methyl ester
    • Methyl 3-methyl-5-(methyloxy)benzoate
    • Methyl 5-methoxy-3-methylbenzoate
    • Benzoic acid, 3-Methoxy-5-Methyl-, Methyl ester
    • SY104969
    • DA-17854
    • TS-02518
    • AKOS006328084
    • AC-5449
    • methyl 3-methoxy-5-methylbenzoate;3-methoxy-5-methyl-benzoic acid methyl ester;
    • CS-0195917
    • MFCD09833214
    • Methyl3-methoxy-5-methylbenzoate
    • MB07769
    • methyl 3-methoxy-5-methyl-benzoate
    • SCHEMBL988746
    • DTXSID70550749
    • Methyl-3-methoxy-5-methyl benzoate
    • 108593-44-8
    • MDL: MFCD09833214
    • Inchi: 1S/C10H12O3/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6H,1-3H3
    • InChI Key: QPZNMWJDXUEMOJ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=O)OC)C=C(C)C=1

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 179
  • 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: 2.1
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.075±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 270.8±20.0 oC (760 Torr),
  • Flash Point: 108.1±16.4 oC,
  • Solubility: Very slightly soluble (0.58 g/l) (25 o C),
  • PSA: 35.53

Methyl 3-methoxy-5-methylbenzoate Pricemore >>

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