Cas no 59569-67-4 (Pentanoic acid,2-hydroxypropyl ester)

Pentanoic acid,2-hydroxypropyl ester structure
59569-67-4 structure
Product Name:Pentanoic acid,2-hydroxypropyl ester
CAS No:59569-67-4
MF:C8H16O3
MW:160.210843086243
CID:373921
PubChem ID:101080
Update Time:2025-04-19

Pentanoic acid,2-hydroxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,2-hydroxypropyl ester
    • 2-hydroxypropyl pentanoate
    • 2-hydroxypropyl valerate
    • AI3-07465
    • SCHEMBL10403567
    • NS00055683
    • 59569-67-4
    • Propylene glycol monovalerate
    • Pentanoic acid, 2-hydroxypropyl ester
    • EINECS 261-809-4
    • DTXSID20866761
    • Inchi： 1S/C8H16O3/c1-3-4-5-8(10)11-6-7(2)9/h7,9H,3-6H2,1-2H3
    • InChI Key： NEEPKCJTYSMSQT-UHFFFAOYSA-N
    • SMILES： O(C(CCCC)=O)CC(C)O

Computed Properties

  • Exact Mass: 160.10998
  • Monoisotopic Mass: 160.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 112
  • 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: 1.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Pentanoic acid,2-hydroxypropyl ester Related Literature

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