lithium(1+) ion 2-ethylhexanoate

• ChemBase ID: 303343
• Molecular Formular: C8H15LiO2
• Molecular Mass: 150.1445
• Monoisotopic Mass: 150.12320927
• SMILES: [Li+].CCCCC(CC)C(=O)[O-]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.[Li+]
• InChI: InChI=1S/C8H16O2.Li/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
• InChIKey: MAZKNBXUMANNDL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion 2-ethylhexanoate
• IUPAC Traditional name: lithium(1+) ion 2-ethylhexanoate
• Synonyms: 2-Ethylhexanoic acid lithium salt; Lithium 2-ethylhexanoate; 2-乙基己酸锂

Database IDs

• CAS Number: 15590-62-2
• EC Number: 239-657-5
• MDL Number: MFCD00058702

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: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Lump

Safety Information

• European Hazard Symbols: X
• Risk Statements: 63
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Hazard statements: H361
• GHS Precautionary statements: P280H