lithium(1+) ion 2-hydroxypropanoate

• ChemBase ID: 102249
• Molecular Formular: C3H5LiO3
• Molecular Mass: 96.011
• Monoisotopic Mass: 96.03987357
• SMILES: [Li+].CC(O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(O)C.[Li+]
• InChI: InChI=1S/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
• InChIKey: GKQWYZBANWAFMQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion 2-hydroxypropanoate
• IUPAC Traditional name: LithoTab lactate; lithium(1+) ion lactate
• Synonyms: Lactic acid lithium salt; Lithium lactate; Lithium Lactate; DL-LACTIC ACID LITHIUM SALT; LITHIUM LACTATE; DL-Lactic acid lithium salt; Lithium 2-hydroxypropanoate; 乳酸 锂盐; 乳酸锂; DL-乳酸 锂盐

Database IDs

• CAS Number: 867-55-0; 16891-53-5
• EC Number: 212-761-8
• MDL Number: MFCD00065399
• Beilstein Number: 3568332
• PubChem SID: 24867598; 162088463; 24882238; 24896282
• PubChem CID: 23673452

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear
• Melting Point: >300 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: OJ6311000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2; 3
• Risk Statements: R:36/37/38; R:36/37/39
• Safety Statements: 22-24/25; S:26-36
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~98%; ≥97.0% (NT); 95%; 95+%
• Grade: purum
• Linear Formula: CH3CH(OH)COOLi

DETAILS

MP Biomedicals - 02100824

Lithium Salt

MP Biomedicals - 05204195

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L1500

Other Notes
Contains approximately equal amounts of DL isomers.

Sigma Aldrich - 440469

Packaging
50 g in poly bottle