Cas no 5129-37-3 (Propanoic acid,2,2-dimethyl-, butyl ester)

Propanoic acid,2,2-dimethyl-, butyl ester structure
5129-37-3 structure
Product Name:Propanoic acid,2,2-dimethyl-, butyl ester
CAS No:5129-37-3
MF:C9H18O2
MW:158.238023281097
CID:383762
PubChem ID:138420
Update Time:2025-04-19

Propanoic acid,2,2-dimethyl-, butyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2,2-dimethyl-, butyl ester
    • butyl 2,2-dimethylpropanoate
    • 2,2-Dimethylpropionic acid, buthyl ester
    • Butyl pivalate
    • n-Butyl pivalate
    • Pivalicacid, butyl ester (7CI,8CI)
    • butyl-2,2-dimethylpropanoate
    • FCDMDSDHBVPGGE-UHFFFAOYSA-N
    • SCHEMBL126843
    • Butyl neopentanoate
    • AKOS006239759
    • Propanoic acid, 2,2-dimethyl-, butyl ester
    • 5129-37-3
    • DTXSID40199285
    • G77138
    • DTXCID70121776
    • Inchi： 1S/C9H18O2/c1-5-6-7-11-8(10)9(2,3)4/h5-7H2,1-4H3
    • InChI Key： FCDMDSDHBVPGGE-UHFFFAOYSA-N
    • SMILES： O(CCCC)C(C(C)(C)C)=O

Computed Properties

  • Exact Mass: 158.13074
  • Monoisotopic Mass: 158.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 122
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Propanoic acid,2,2-dimethyl-, butyl ester Pricemore >>

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