bis[(2-ethylhexanoyl)oxy]yttrio 2-ethylhexanoate

• ChemBase ID: 150894
• Molecular Formular: C24H45O6Y
• Molecular Mass: 518.51635
• Monoisotopic Mass: 518.22746216
• SMILES: CCCCC(CC)C(=O)O[Y](OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
• Canonical SMILES: CCCCC(C(=O)O[Y](OC(=O)C(CCCC)CC)OC(=O)C(CCCC)CC)CC
• 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: bis[(2-ethylhexanoyl)oxy]yttrio 2-ethylhexanoate
• IUPAC Traditional name: bis[(2-ethylhexanoyl)oxy]yttrio 2-ethylhexanoate
• Synonyms: Yttrium(III) 2-ethylhexanoate; 2-乙基己酸钇(III)

Database IDs

• CAS Number: 114012-65-6
• MDL Number: MFCD00070441
• PubChem SID: 162245054; 24861463
• PubChem CID: 56845799

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 8.1573
• LogD (pH = 7.4): 8.1573
• Log P: 8.1573
• Molar Refractivity: 117.9645 cm^3
• Polarizability: 51.552643 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: [CH3(CH2)3CH(C2H5)CO2]3Y

DETAILS

Sigma Aldrich - 347086

Packaging
10 g in poly bottle