yttrium(3+) ion tris(2-ethylhexanoate)

• ChemBase ID: 303263
• Molecular Formular: C24H45O6Y
• Molecular Mass: 518.51635
• Monoisotopic Mass: 518.22746216
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Y+3]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Y+3]
• InChI: InChI=1S/3C8H16O2.Y/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
• InChIKey: AGOMHFKGCMKLDA-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: yttrium(3+) ion tris(2-ethylhexanoate)
• IUPAC Traditional name: yttrium(3+) ion tris(2-ethylhexanoate)
• Synonyms: 2-Ethylhexanoic acid yttrium(III) salt; Yttrium(III) 2-ethylhexanoate; 2-乙基己酸钇(III)

Database IDs

• CAS Number: 103470-68-4
• MDL Number: MFCD00070441

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: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid; Powder

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); X
• UN Number: UN1208
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-38-48/20-62-51/53-63-65-67; 63
• Safety Statements: 16-29-33-36/37-61-62; 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Hazard statements: H225-H304-H361-H373-H315-H336-H411-H401; H361
• GHS Precautionary statements: P210-P280H-P273-P243-P301+P330+P331-P315; P280H

Product Information

• Purity: 10% w/v in n-hexane; 99.8% (metals basis)