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

• ChemBase ID: 303802
• Molecular Formular: C32H60O8Ti
• Molecular Mass: 620.681
• Monoisotopic Mass: 620.37676518
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ti+4]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Ti+4]
• InChI: InChI=1S/4C8H16O2.Ti/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: GDKAXSGMPFSRJY-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion tetrakis(2-ethylhexanoate)
• IUPAC Traditional name: titanium(4+) ion tetrakis(2-ethylhexanoate)
• Synonyms: Titanium(IV) 2-ethylhexanoate; 2-乙基己酸钛(IV) )

Database IDs

• CAS Number: 3645-34-9
• MDL Number: MFCD05663781

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: Liquid

Safety Information

• 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: 97%