Cas no 72013-81-1 (Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester)

Cyclododecaneacetic acid, 1-hydroxy-, ethyl ester is a cyclic ester compound with a hydroxyl-functionalized cyclododecane backbone. Its structure combines the stability of a 12-membered ring with the reactivity of both ester and hydroxyl groups, making it useful in specialty chemical synthesis. The ethyl ester group enhances solubility in organic solvents, while the hydroxyl group provides a site for further functionalization. This compound is valued in fine chemical and pharmaceutical applications, where its balanced lipophilicity and derivatization potential are advantageous. Its cyclic nature also contributes to controlled release properties in certain formulations. Proper handling requires standard ester and alcohol precautions.
Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester structure
72013-81-1 structure
Product Name:Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester
CAS No:72013-81-1
MF:C16H30O3
MW:270.407605648041
CID:579941
PubChem ID:11821693
Update Time:2025-06-07

Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester
    • ethyl 1-hydroxycyclododecaneacetate
    • ethyl 2-(1-hydroxycyclododecyl)acetate
    • ethyl (1-hydroxycyclododecyl)acetate
    • AKOS012796508
    • NS00064300
    • Cyclododecaneaceticacid,1-hydroxy-,ethyl ester
    • EN300-704295
    • EINECS 276-287-3
    • DTXSID20992695
    • 72013-81-1
    • Inchi： 1S/C16H30O3/c1-2-19-15(17)14-16(18)12-10-8-6-4-3-5-7-9-11-13-16/h18H,2-14H2,1H3
    • InChI Key： DOYUNYYERFSZJK-UHFFFAOYSA-N
    • SMILES： OC1(CC(=O)OCC)CCCCCCCCCCC1

Computed Properties

  • Exact Mass: 270.2196
  • Monoisotopic Mass: 270.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 238
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-704295-1.0g
ethyl 2-(1-hydroxycyclododecyl)acetate
 72013-81-1
1g
 $0.0 2023-06-06

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