aluminium(3+) ion tris(2-hydroxypropanoate)

• ChemBase ID: 110031
• Molecular Formular: C9H18AlO9
• Molecular Mass: 297.215358
• Monoisotopic Mass: 297.07662079
• SMILES: [AlH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[AlH3+3]
• InChI: InChI=1S/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
• InChIKey: VXYADVIJALMOEQ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tris(2-hydroxypropanoate)
• IUPAC Traditional name: aluminium(3+) ion trilactate; aluminium(3+) trilactate
• Synonyms: Aluminum lactate; ALUMINUM LACTATE; 乳酸铝

Database IDs

• CAS Number: 18917-91-4
• EC Number: 242-670-9
• MDL Number: MFCD00043086
• Merck Index: 14348
• PubChem SID: 162095554
• PubChem CID: 92422

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble in cold water
• Apperance: Powder

Safety Information

• RTECS: BD2214000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• Risk Statements: 36/37/38; R:15-17
• Safety Statements: 26-37; S:7/8
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 90-95%, contains ≈5% water

DETAILS

MP Biomedicals - 05213456

MP Biomedicals Rare Chemical collection