(2-ethylhexyl)lithium

• ChemBase ID: 136236
• Molecular Formular: C8H17Li
• Molecular Mass: 120.16158
• Monoisotopic Mass: 120.14903009
• SMILES: [Li]CC(CC)CCCC
• Canonical SMILES: CCCCC(CC)C[Li]
• InChI: InChI=1S/C8H17.Li/c1-4-6-7-8(3)5-2;/h8H,3-7H2,1-2H3
• InChIKey: VKMNMYVWVWHTLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylhexyl)lithium
• IUPAC Traditional name: (2-ethylhexyl)lithium
• Synonyms: 2-(Ethylhexyl)lithium solution; 2-(乙基己基)锂 溶液

Database IDs

• CAS Number: 13067-81-7
• MDL Number: MFCD06200721
• PubChem SID: 162230507; 24883020
• PubChem CID: 10986205

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0069
• LogD (pH = 7.4): 3.0069
• Log P: 3.0069
• Molar Refractivity: 37.6695 cm^3
• Polarizability: 16.703108 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.730 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 3392
• German water hazard class: 1
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 11-14-17-34-50/53-65-67
• Safety Statements: 16-26-29-33-36/37/39-43.11-45-60-61-62
• RID/ADR: UN 3392 4.2/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 30-35 wt. % in heptane
• Linear Formula: LiCH2CH(CH2CH3)(CH2)3CH3

DETAILS

Sigma Aldrich - 639362

Packaging
25, 100 mL in Sure/Seal™