lithium(1+) ion acetate dihydrate

• ChemBase ID: 104254
• Molecular Formular: C2H7LiO4
• Molecular Mass: 102.01558
• Monoisotopic Mass: 102.05043825
• SMILES: [Li+].O.O.CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[Li+].O.O
• InChI: InChI=1S/C2H4O2.Li.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2/q;+1;;/p-1
• InChIKey: IAQLJCYTGRMXMA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion acetate dihydrate
• IUPAC Traditional name: lithium(1+) ion acetate dihydrate; LithoTab acetate ion dihydrate
• Synonyms: Acetic acid lithium salt; Lithium acetate dihydrate; Lithium acetate dihydrate, Reagent Grade; Acetic acid lithium salt dihydrate; LITHIUM ACETATE; 乙酸 锂盐; 乙酸锂 二水合物; 乙酸锂二水合物, 试剂级; 乙酸锂二水合物

Database IDs

• CAS Number: 6108-17-4
• EC Number: 208-914-3
• MDL Number: MFCD00066949
• Beilstein Number: 3564320
• Merck Index: 145521
• PubChem SID: 162092459; 24868540; 24896447; 24882210; 24882211; 24896363
• PubChem CID: 23666338

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

• Solubility: Freely soluble in water and alcohol; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless
• Apperance: Crystals; solid
• Melting Point: 53-56 °C(lit.); 53-56°C (dec.); 54-57°C
• Density: 1.3 g/ml; 1.300
• Absorption Wavelength: λ: 260 nm Amax: <0.04; λ: 280 nm Amax: <0.03
• pH: 7.5-9.5 (25 °C, 1 M in H2O); 7.5-9.5 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: AI5450000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: R:46
• Safety Statements: S:8-45
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (NT); ≥99.0% (calc. based on dry substance, NT); 98%; 99%; 99.999% trace metals basis
• Grade: purum p.a.; reagent grade
• Compostion: Lithium acetate, ≥63%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; 36.4-37.1% water; insoluble matter, passes filter test
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤0.001%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤100 mg/kg; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.5%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg
• Quality: crystallized
• λ: 0.1 M in H2O
• Product Line: BioUltra; BioXtra
• Linear Formula: CH3COOLi · 2H2O

DETAILS

MP Biomedicals - 02155256

Dihydrate

Sigma Aldrich - 62393

Other Notes
In the preparation of the modified ninhydrin reagent for amino analysis by ion-exchange chromatography1; Essential for obtaining a fully soluble dimethyl sulfoxide-buffer mixture and for eliminating possible salt precipitation when the ninhydrin reagent mixes with the sodium citrate-containing effluent from an ion-exchange column.

Sigma Aldrich - 213195

Packaging
1 kg in poly bottle

Sigma Aldrich - 450189

Packaging
5, 25 g in poly bottle

Sigma Aldrich - L6883

Packaging
1 kg in poly bottle
250 g in poly bottle