tetrapotassium trihydrate dicarbonate

• ChemBase ID: 158601
• Molecular Formular: C2H6K4O9
• Molecular Mass: 330.45684
• Monoisotopic Mass: 329.85600849
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.[K+].[K+].[K+].[K+]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].O.O.O.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/2CH2O3.4K.3H2O/c2*2-1(3)4;;;;;;;/h2*(H2,2,3,4);;;;;3*1H2/q;;4*+1;;;/p-4
• InChIKey: WWVGGBSGYNQKCY-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium trihydrate dicarbonate
• IUPAC Traditional name: tetrapotassium trihydrate dicarbonate
• Synonyms: Potassium carbonate sesquihydrate; 碳酸钾 倍半水合物

Database IDs

• CAS Number: 6381-79-9
• EC Number: 209-529-3
• PubChem SID: 24854510; 162252737
• PubChem CID: 2734018

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98.5-101.0% (ACS specification); 99%
• Grade: ACS reagent
• Impurities: ≤0.001% N compounds; ≤0.004% S compounds (as SO42-); ≤0.005% silica; ≤0.01% insolubles; ≤0.01% NH4OH pptd.
• Cation Traces: Ca: ≤0.005%; Fe: ≤5 ppm; heavy metals (as Pb): ≤5 ppm; Mg: ≤0.002%; Na: ≤0.02%
• Antion Traces: chloride (Cl-): ≤0.003%; phosphate (PO43-): ≤0.001%
• Loss on Drying: 14.0-16.5% loss on heating
• Linear Formula: K2CO3 · 1.5H2O

DETAILS

Sigma Aldrich - 243558

Packaging
1 kg in poly bottle