Cas no 18545-28-3 (3-Oxopropyl acetate)

3-Oxopropyl acetate structure
3-Oxopropyl acetate structure
Product Name:3-Oxopropyl acetate
CAS No:18545-28-3
MF:C5H8O3
MW:116.115221977234
CID:205218
PubChem ID:87700
Update Time:2025-04-19

3-Oxopropyl acetate Chemical and Physical Properties

Names and Identifiers

    • 3-Oxopropyl acetate
    • Propanal,3-(acetyloxy)-
    • Einecs 242-416-7
    • 3-Acetoxypropanal
    • 3-(Acetyloxy)propanal
    • 3-Acetoxypropionaldehyde
    • PRSPLAWXBFRHKV-UHFFFAOYSA-N
    • Acetic acid 3-oxopropyl ester
    • Acetic acid 2-formylethyl ester
    • DTXSID90171778
    • 18545-28-3
    • acetic acid 3-oxo-propyl ester
    • NS00026080
    • SCHEMBL1882084
    • Inchi: 1S/C5H8O3/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3
    • InChI Key: PRSPLAWXBFRHKV-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)CCC=O

Computed Properties

  • Exact Mass: 116.047344
  • Monoisotopic Mass: 116.047344
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 87.7
  • 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
  • Topological Polar Surface Area: 43.4
  • XLogP3: -0.5

Experimental Properties

  • Density: 1.037
  • Boiling Point: 165.5°C at 760 mmHg
  • Flash Point: 59.2°C
  • Refractive Index: 1.4

3-Oxopropyl acetate Related Literature

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