potassium propan-2-olate

• ChemBase ID: 303299
• Molecular Formular: C3H7KO
• Molecular Mass: 98.18538
• Monoisotopic Mass: 98.01339652
• SMILES: CC(C)[O-].[K+]
• Canonical SMILES: [O-]C(C)C.[K+]
• InChI: InChI=1S/C3H7O.K/c1-3(2)4;/h3H,1-2H3;/q-1;+1
• InChIKey: WQKGAJDYBZOFSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium propan-2-olate
• IUPAC Traditional name: potassium propan-2-olate
• Synonyms: Potassium isopropoxide; 异丙醇钾

Database IDs

• CAS Number: 6831-82-9
• EC Number: 229-909-2
• MDL Number: MFCD00210641

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3274
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 11-34-67
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H314-H318-H336
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 99% (metals basis), 5% w/v in isopropanol