magnesium(2+) ion dioctadecanoate

• ChemBase ID: 110233
• Molecular Formular: C36H70MgO4
• Molecular Mass: 591.2436
• Monoisotopic Mass: 590.51245242
• SMILES: [Mg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
• InChI: InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: HQKMJHAJHXVSDF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion dioctadecanoate
• IUPAC Traditional name: magnesium(2+) bis(formula 300); magnesium(2+) ion bis(n-octadecanoate)
• Synonyms: Stearic acid magnesium salt; Magnesium stearate; MAGNESIUM STEARATE; 硬脂酸镁

Database IDs

• CAS Number: 557-04-0
• EC Number: 209-150-3
• MDL Number: MFCD00036391
• Merck Index: 145690
• PubChem SID: 162095588
• PubChem CID: 11177
• CHEBI ID: 9254
• Chemspider ID: 10704
• Unique Ingredient Identifier: 70097M6I30
• Wikipedia Title: Magnesium_stearate

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• Molar Refractivity: 97.1227 cm^3
• Polarizability: 34.295197 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 0.003 g/100 mL (15 °C) ; 0.004 g/100 mL (25 °C) ; 0.008 g/100 mL (50 °C) in water; negliglble in ether and alcohol ; slightly soluble in benzene
• Apperance: light white powder
• Melting Point: 148-152°C; 88°C; 88.5°C
• Density: 1.026 g/cm^3
• Odor: slight

Safety Information

• RTECS: WI4390000
• European Hazard Symbols: Flammable (F)
• Risk Statements: 53; R:15-17
• Safety Statements: 61; S:7/8
• TSCA Listed: 是
• GHS Hazard statements: H413
• GHS Precautionary statements: P273-P501A

DETAILS

MP Biomedicals - 05214200

MP Biomedicals Rare Chemical collection