lithium(1+) ion octanoate

• ChemBase ID: 303357
• Molecular Formular: C8H15LiO2
• Molecular Mass: 150.1445
• Monoisotopic Mass: 150.12320927
• SMILES: [Li+].CCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCC(=O)[O-].[Li+]
• InChI: InChI=1S/C8H16O2.Li/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1
• InChIKey: BTAUEIDLAAYHSL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion octanoate
• IUPAC Traditional name: lithium(1+) ion octanoate
• Synonyms: Caprylic acid, lithium salt; Lithium octanoate; 辛酸锂

Database IDs

• CAS Number: 16577-52-9
• EC Number: 240-637-3
• MDL Number: MFCD00210629

CALCULATED PROPERTIES

• Acid pKa: 5.192975
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2191668
• LogD (pH = 7.4): 0.510514
• Log P: 2.7000334
• Molar Refractivity: 51.1127 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%