Cas no 42175-34-8 (Propanoic acid, 2-hydroxy-, decylester)

Propanoic acid, 2-hydroxy-, decylester structure
42175-34-8 structure
Product Name:Propanoic acid, 2-hydroxy-, decylester
CAS No:42175-34-8
MF:C13H26O3
MW:230.343744754791
CID:334666
PubChem ID:347720
Update Time:2025-04-19

Propanoic acid, 2-hydroxy-, decylester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-hydroxy-, decylester
    • decyl 2-hydroxypropanoate
    • N-DECYLLACTATE
    • UNII-3BB6FCN8TA
    • NSC406532
    • 3BB6FCN8TA
    • Propanoic acid, 2-hydroxy-, decyl ester
    • NSC-406532
    • 2-Hydroxypropionic acid decyl ester
    • decyl lactate
    • DTXSID60324370
    • 42175-34-8
    • FUGCGCXGFWNOSY-UHFFFAOYSA-N
    • SCHEMBL2249727
    • Inchi: 1S/C13H26O3/c1-3-4-5-6-7-8-9-10-11-16-13(15)12(2)14/h12,14H,3-11H2,1-2H3
    • InChI Key: FUGCGCXGFWNOSY-UHFFFAOYSA-N
    • SMILES: O(C(C(C)O)=O)CCCCCCCCCC

Computed Properties

  • Exact Mass: 230.18828
  • Monoisotopic Mass: 230.18819469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 11
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.0338 (rough estimate)
  • Boiling Point: 312.34°C (rough estimate)
  • Refractive Index: 1.4305 (estimate)
  • PSA: 46.53
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