manganese(2+) ion bis(2-ethylhexanoate)

• ChemBase ID: 109394
• Molecular Formular: C16H30MnO4
• Molecular Mass: 341.345049
• Monoisotopic Mass: 341.15245454
• SMILES: [Mn+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Mn+2]
• InChI: InChI=1S/2C8H16O2.Mn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: FHRAKXJVEOBCBQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion bis(2-ethylhexanoate)
• IUPAC Traditional name: manganese(II) bis(2-ethylhexanoate); manganese(2+) ion bis(2-ethylhexanoate)
• Synonyms: MANGANESE OCTOATE, 50% SOLUTION IN WATER; Manganese(II) 2-ethylhexanoate; 2-乙基己酸锰(II)溶液

Database IDs

• CAS Number: 6535-19-9; 13434-24-7
• EC Number: 229-437-7
• MDL Number: MFCD00058698
• PubChem SID: 162094977
• PubChem CID: 114521

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 0.897

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN1268
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-63-65
• Safety Statements: 36/37-62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08
• GHS Hazard statements: H304-H361-H226
• GHS Precautionary statements: P280H-P301+P330+P331-P315

Product Information

• Purity: 40% w/w in mineral spirits, 6% Mn

DETAILS

MP Biomedicals - 05210867

MP Biomedicals Rare Chemical collection