Cas no 29056-05-1 (Methyl 2-(4-isopropoxyphenyl)acetate)

Methyl 2-(4-isopropoxyphenyl)acetate is a versatile ester compound characterized by its aromatic phenylacetate structure substituted with an isopropoxy group at the para position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its isopropoxy moiety enhances solubility in organic solvents, facilitating reactions under mild conditions. The ester group offers reactivity for further functionalization, such as hydrolysis or transesterification. With a well-defined molecular structure, it ensures consistent performance in synthetic applications. Its stability under standard storage conditions makes it a reliable choice for research and industrial processes requiring precise aromatic building blocks.
Methyl 2-(4-isopropoxyphenyl)acetate structure
29056-05-1 structure
Product Name:Methyl 2-(4-isopropoxyphenyl)acetate
CAS No:29056-05-1
MF:C12H16O3
MW:208.253643989563
CID:1438705
PubChem ID:525538
Update Time:2025-06-07

Methyl 2-(4-isopropoxyphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, 4-(1-methylethoxy)-, methyl ester
    • methyl 2-(4-propan-2-yloxyphenyl)acetate
    • methyl p-isopropyloxyphenylacetate
    • AKOS000296282
    • STL507846
    • DA-07293
    • SCHEMBL392767
    • methyl [4-(propan-2-yloxy)phenyl]acetate
    • DTXSID20335508
    • 29056-05-1
    • methyl (4-(1-methylethoxy)phenyl)acetate
    • methyl 4-isopropoxyphenylacetate
    • (4-Isopropoxy-phenyl)-acetic acid, methyl ester
    • methyl 2-(4-isopropoxyphenyl)acetate
    • Methyl 2-(4-isopropoxyphenyl)acetate
    • Inchi： 1S/C12H16O3/c1-9(2)15-11-6-4-10(5-7-11)8-12(13)14-3/h4-7,9H,8H2,1-3H3
    • InChI Key： IXIIOTCCONXDNO-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(=CC=1)CC(=O)OC)C(C)C

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 193
  • 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: 2.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Methyl 2-(4-isopropoxyphenyl)acetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M179955-500mg
Methyl 2-(4-isopropoxyphenyl)acetate
 29056-05-1
500mg
 $ 500.00 2022-06-04
TRC
M179955-1000mg
Methyl 2-(4-isopropoxyphenyl)acetate
 29056-05-1
1g
 $ 830.00 2022-06-04
TRC
M179955-2500mg
Methyl 2-(4-isopropoxyphenyl)acetate
 29056-05-1
2500mg
 $ 1655.00 2022-06-04

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