bis(oxo[(oxoalumanyl)oxy]alumane); oxo[(oxoyttrio)oxy]alumane; oxo[(oxoyttrio)oxy]yttrium

• ChemBase ID: 141807
• Molecular Formular: Al5H5O12Y3
• Molecular Mass: 598.65774
• Monoisotopic Mass: 598.60333775
• SMILES: O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[AlH]O[Y]=O.O=[Y]O[Y]=O
• Canonical SMILES: O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[AlH]O[Y]=O.O=[Y]O[Y]=O
• InChI: InChI=1S/5Al.12O.3Y
• InChIKey: ITMSSWCUCPDVED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(oxo[(oxoalumanyl)oxy]alumane); oxo[(oxoyttrio)oxy]alumane; oxo[(oxoyttrio)oxy]yttrium
• IUPAC Traditional name: bis(aluminium oxide); oxo[(oxoyttrio)oxy]alumane; oxo[(oxoyttrio)oxy]yttrium
• Synonyms: Aluminum yttrium oxide; YAG; Yttrium aluminum garnet; Yttrium aluminum oxide; 钇铝石榴石; 氧化铝钇

Database IDs

• CAS Number: 12005-21-9
• EC Number: 234-465-8
• MDL Number: MFCD00213958
• PubChem SID: 162236041; 24882638
• PubChem CID: 16217673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4684
• LogD (pH = 7.4): 2.4684
• Log P: 2.4684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 6.522983 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: nanopowder
• Density: 4.56 g/mL at 25 °C(lit.)

Safety Information

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

Product Information

• Purity: 99% trace metals basis
• Particle Size: <150 nm (TEM)
• Linear Formula: Y3Al5O12

DETAILS

Sigma Aldrich - 634638

Features and Benefits
Lanthanide doped YAG is the prime optical material in modern solid state lasers.1
Packaging
25 g in glass bottle