Cas no 649774-36-7 (Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-, methyl ester)

Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-, methyl ester structure
649774-36-7 structure
Product Name:Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-, methyl ester
CAS No:649774-36-7
MF:C13H18O3
MW:222.280224323273
CID:409596
PubChem ID:28825594
Update Time:2025-04-19

Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-, methyl ester
    • methyl 2-(3-methyl-4-propan-2-ylphenoxy)acetate
    • DTXSID10651704
    • methyl 2-(4 isopropyl-3-methylphenoxy)acetate
    • Methyl 2-[3-methyl-4-(propan-2-yl)phenoxy]acetate
    • UUYHBNHYMBWOGF-UHFFFAOYSA-N
    • Methyl [3-methyl-4-(propan-2-yl)phenoxy]acetate
    • FT-0705133
    • SCHEMBL2959433
    • AKOS008909696
    • 649774-36-7
    • methyl 2-(4-isopropyl-3-methylphenoxy)acetate
    • Inchi: 1S/C13H18O3/c1-9(2)12-6-5-11(7-10(12)3)16-8-13(14)15-4/h5-7,9H,8H2,1-4H3
    • InChI Key: UUYHBNHYMBWOGF-UHFFFAOYSA-N
    • SMILES: O(CC(=O)OC)C1C=CC(=C(C)C=1)C(C)C

Computed Properties

  • Exact Mass: 222.12564
  • Monoisotopic Mass: 222.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 225
  • 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: 3.3
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-, methyl ester Pricemore >>

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