lithium(1+) ion acetate

• ChemBase ID: 108955
• Molecular Formular: C2H3LiO2
• Molecular Mass: 65.98502
• Monoisotopic Mass: 66.02930889
• SMILES: [Li+].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[Li+]
• InChI: InChI=1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• InChIKey: XIXADJRWDQXREU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion acetate
• IUPAC Traditional name: lithium(1+) ion acetate; LithoTab acetate ion
• Synonyms: Lithium acetate; LITHIUM ACETATE; lithium(1+) ion acetate; Lithium acetate hydrate, Puratronic®; 乙酸锂; 乙酸锂水合物, Puratronic®

Database IDs

• CAS Number: 546-89-4
• EC Number: 208-914-3
• MDL Number: MFCD00013057
• Merck Index: 145521
• PubChem SID: 24873991; 162094478
• PubChem CID: 3474584

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 283-285 °C(lit.); 300 - 302°C; 57.8°C
• Hydrophobicity(logP): 0.0

Safety Information

• RTECS: AI5450000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• German water hazard class: 1
• Risk Statements: 22; R:14/15-34
• Safety Statements: 36; S:8-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 99.95% trace metals basis; 99.998% (metals basis)
• Linear Formula: LiOOCCH3

DETAILS

Sigma Aldrich - 517992

Packaging
100 g in poly bottle