(octadecanoyloxy)magnesio octadecanoate

• ChemBase ID: 151051
• Molecular Formular: C36H70MgO4
• Molecular Mass: 591.2436
• Monoisotopic Mass: 590.51245242
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Mg]OC(=O)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Mg]OC(=O)CCCCCCCCCCCCCCCCC
• 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: (octadecanoyloxy)magnesio octadecanoate
• IUPAC Traditional name: magnesium stearate
• Synonyms: Stearic acid magnesium salt; Magnesium stearate; 十八酸 镁盐; 硬脂酸镁

Database IDs

• CAS Number: 557-04-0
• EC Number: 209-150-3
• MDL Number: MFCD00036391
• Beilstein Number: 3919702
• PubChem SID: 24856025; 24865972; 162245210
• PubChem CID: 13288249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 12.232
• LogD (pH = 7.4): 12.232
• Log P: 12.232
• Molar Refractivity: 170.716 cm^3
• Polarizability: 70.65586 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 200 °C(lit.)

Safety Information

• RTECS: WI4390000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: nwg
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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: ≥40% stearic acid basis (GC); ≥90% stearic and palmitic acid basis; 3.8-5% (Mg); 4.0-4.6% Mg basis; 4.0-5.0% Mg basis (calc on dry sub.)
• Grade: puriss.; SAJ first grade; technical; technical grade
• Compostion: palmitate salt, 25%; stearate salt, 65%
• Suitability: in accordance for fatty acid composition; passes test for identity
• Impurities: acidity or alkalinity, complies; magnesium oleate; magnesium palmitate; microbiological impurity, in accordance; residual solvents, complies
• Cation Traces: Cd: ≤3 mg/kg; Ni: ≤5 mg/kg; Pb: ≤10 mg/kg
• Antion Traces: chloride (Cl-): ≤1000 mg/kg; sulfate (SO42-): ≤5000 mg/kg
• Loss on Drying: ≤6% loss on drying; ≤6.0% loss on drying, 105 °C
• Quality: meets analytical specification of Ph. Eur., BP
• Acid Value: 195-210(fatty acid)
• Linear Formula: [CH3(CH2)16CO2]2Mg

DETAILS

Sigma Aldrich - 415057

Packaging
1 kg in poly drum
25 g in poly bottle