bis(acetyloxy)cerio acetate hydrate

• ChemBase ID: 148031
• Molecular Formular: C6H11CeO7
• Molecular Mass: 335.26334
• Monoisotopic Mass: 334.95591569
• SMILES: CC(=O)O[Ce](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Ce](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.Ce.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: AERUOEZHIAYQQL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)cerio acetate hydrate
• IUPAC Traditional name: acetic acid, cerium(3) salt hydrate
• Synonyms: Cerium(III) acetate hydrate; 醋酸铈(III) 水合物

Database IDs

• CAS Number: 206996-60-3
• EC Number: 208-654-0
• MDL Number: MFCD00150533
• PubChem SID: 162242211; 24877688; 24862836
• PubChem CID: 16212364

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1701
• LogD (pH = 7.4): -0.1701
• Log P: -0.1701
• Molar Refractivity: 35.1483 cm^3
• Polarizability: 20.594126 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks; powder or crystals

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.9% trace metals basis; 99.99% trace metals basis
• Compostion: Degree of hydration, 1-3
• Impurities: ≤1% acetic acid
• Linear Formula: Ce(CH3CO2)3 · xH2O

DETAILS

Sigma Aldrich - 529559

Packaging
10 g in poly bottle

Sigma Aldrich - 367753

Packaging
50, 250 g in poly bottle
Application
With bromide ion, catalyzes the liquid-phase auto-oxidation of cresols.1,2