Cas no 3999-70-0 (1-Butanol, potassiumsalt (1:1))

1-Butanol, potassiumsalt (1:1) structure
3999-70-0 structure
Product Name:1-Butanol, potassiumsalt (1:1)
CAS No:3999-70-0
MF:C4H9KO
MW:112.211962461472
CID:319400
PubChem ID:23699084
Update Time:2025-04-19

1-Butanol, potassiumsalt (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Butanol, potassiumsalt (1:1)
    • potassium,butan-1-ol
    • 1-Butanol,potassium salt
    • Butyl alcohol,potassium salt
    • EINECS 223-646-7
    • Potassium butanolate
    • SCHEMBL37894
    • butoxy potassium
    • n-BuOK
    • NS00083659
    • potassiurn butoxide
    • 3999-70-0
    • 1-Butanol, potassium salt (1:1)
    • BuOK
    • potassium butoxide
    • C4H9OK
    • DTXSID6027553
    • potassium butan-1-olate
    • 1-Butanol, potassium salt
    • Potassium n-butoxide in n-butanol
    • CUQOHAYJWVTKDE-UHFFFAOYSA-N
    • potassium-butoxide
    • Inchi: 1S/C4H9O.K/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
    • InChI Key: CUQOHAYJWVTKDE-UHFFFAOYSA-N
    • SMILES: [K+].[O-]CCCC

Computed Properties

  • Exact Mass: 112.02900
  • Monoisotopic Mass: 112.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 17
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 23.1A^2

Experimental Properties

  • Color/Form: Colorless to yellowish liquid
  • Boiling Point: 117.7°Cat760mmHg
  • Flash Point: 35°C
  • PSA: 23.06000
  • LogP: 1.21700

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