zirconium(4+) ion tetrakis(2-ethylhexanoate)

• ChemBase ID: 303305
• Molecular Formular: C32H60O8Zr
• Molecular Mass: 664.038
• Monoisotopic Mass: 662.33352288
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Zr+4]
• InChI: InChI=1S/4C8H16O2.Zr/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4
• InChIKey: OFYFURKXMHQOGG-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion tetrakis(2-ethylhexanoate)
• IUPAC Traditional name: zirconium(4+) ion tetrakis(2-ethylhexanoate)
• Synonyms: Zirconium(IV) 2-ethylhexanoate; 2-乙基己酸锆(IV)

Database IDs

• CAS Number: 2233-42-3
• EC Number: 218-776-6
• MDL Number: MFCD00072684

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: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Viscous liquid

Safety Information

• European Hazard Symbols: X
• Risk Statements: 63
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS08
• GHS Hazard statements: H361
• GHS Precautionary statements: P281-P201-P202-P308+P313-P405-P501A

Product Information

• Purity: 97%