potassium 2-ethylhexanoate hydrate

• ChemBase ID: 303376
• Molecular Formular: C8H17KO3
• Molecular Mass: 200.31708
• Monoisotopic Mass: 200.08147608
• SMILES: CCCCC(CC)C(=O)[O-].O.[K+]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.O.[K+]
• InChI: InChI=1S/C8H16O2.K.H2O/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;1H2/q;+1;/p-1
• InChIKey: JSQJZOLOODQKCL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-ethylhexanoate hydrate
• IUPAC Traditional name: potassium 2-ethylhexanoate hydrate
• Synonyms: Potassium 2-ethylhexanoate hydrate; 2-乙基己酸钾水合物

Database IDs

• CAS Number: 3164-85-0
• EC Number: 221-625-7
• MDL Number: MFCD00045896

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Lump/semiliquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X
• Risk Statements: 63
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Hazard statements: H361
• GHS Precautionary statements: P280H

Product Information

• Purity: 95%