Cas no 39556-41-7 (Hexanoic acid,2-hydroxypropyl ester)

Hexanoic acid,2-hydroxypropyl ester structure
39556-41-7 structure
Product Name:Hexanoic acid,2-hydroxypropyl ester
CAS No:39556-41-7
MF:C9H18O3
MW:174.237423419952
CID:319150
PubChem ID:3016085
Update Time:2025-04-19

Hexanoic acid,2-hydroxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,2-hydroxypropyl ester
    • Propylene glycol monohexanoate
    • 2-hydroxypropyl hexanoate
    • T5U61CGW4R
    • DTXSID10960161
    • Q21547186
    • UNII-T5U61CGW4R
    • 1,2-PROPANEDIOL, 1-HEXANOATE
    • (+/-)-2-HYDROXYPROPYL HEXANOATE
    • 1-PROPYLENE GLYCOL HEXANOATE
    • EINECS 254-506-3
    • SCHEMBL1245287
    • NS00059074
    • Propylene glycol 1-hexanoate
    • Hexanoic acid, 2-hydroxypropyl ester
    • 2-HYDROXYPROPYL HEXANOATE, (+/-)-
    • 39556-41-7
    • FEMA NO. 4469, 2-HYDROXYPROPYL-
    • Inchi： 1S/C9H18O3/c1-3-4-5-6-9(11)12-7-8(2)10/h8,10H,3-7H2,1-2H3
    • InChI Key： MBOLLKIPKUVPFQ-UHFFFAOYSA-N
    • SMILES： O(CC(C)O)C(CCCCC)=O

Computed Properties

  • Exact Mass: 174.12564
  • Monoisotopic Mass: 174.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 123
  • 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: 1.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
  • FEMA: 4469 | PROPYLENEGLYCOL MONOHEXANOATE

Hexanoic acid,2-hydroxypropyl ester Related Literature

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