Lithium StearateCAS #: 4485-12-5

Synonyms

 Lithium octadecanoate; Stearic Acid Lithium Salt; Litholite

Compound Formula: C18H35LiO2 

Molecular Weight: 290.41 

Appearance: solid 

Melting Point: 220 °C 

Boiling Point: N/A 

Density: N/A 

Solubility in H2O: N/A 

Exact Mass: 290.27971 g/mol 

Monoisotopic Mass: 290.27971 g/mol 

Charge: 0

Product Introduction: Sodium Bis(oxalato)borate (NaBOB, CAS #: 4485-12-5)

Sodium bis(oxalato)borate, with the chemical formula Na[B(C₂O₄)₂] and CAS number 4485-12-5, is an advanced organoboron salt recognized for its exceptional performance as an electrolyte additive in lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs). This white crystalline compound consists of a sodium cation (Na⁺) and a bis(oxalato)borate anion ([B(C₂O₄)₂]⁻), offering a unique blend of thermal stability, low toxicity, and excellent electrochemical compatibility. Its structure, featuring oxalate ligands coordinated to a central boron atom, enables robust solid electrolyte interphase (SEI) formation and controlled ionic conductivity, making it a key material for enhancing battery safety and cycle life.

Chemical & Physical Properties

NaBOB exhibits a set of properties that distinguish it as a high-performance electrolyte component:

Solubility: Moderately soluble in polar organic solvents such as ethylene carbonate (EC), dimethyl carbonate (DMC), and propylene carbonate (PC), forming stable electrolytes with concentrations up to 0.8 M. Its solubility profile allows for flexible blending with other salts (e.g., LiPF₆, NaPF₆) to optimize battery performance.

Ionic Conductivity: Delivers reliable ionic conductivity (typically 3–5 mS/cm in optimized solvent mixtures), supporting efficient ion transport in both LIBs and SIBs, which is critical for maintaining high charge-discharge rates.

Thermal Stability: Maintains stability at temperatures up to approximately 300°C, significantly outperforming conventional electrolytes like LiPF₆ (which decomposes above 180°C), reducing the risk of thermal runaway in batteries.

Electrochemical Window: Boasts a wide electrochemical stability window (up to 5.0 V vs. Na⁺/Na and 4.8 V vs. Li⁺/Li), compatible with high-voltage cathodes such as LiCoO₂, NCM (LiNiₓCoᵧMn_zO₂), and Prussian blue analogs.

Hydrolytic Stability: Exhibits superior resistance to hydrolysis compared to fluorinated salts like LiPF₆, minimizing the formation of corrosive byproducts (e.g., HF) even in the presence of trace moisture, thus protecting electrode materials from degradation.

Key Applications in Energy Storage

Sodium bis(oxalato)borate (CAS 4485-12-5) plays a pivotal role in advancing rechargeable battery technologies:

Lithium-Ion Batteries (LIBs): Used as an additive or co-salt in LIB electrolytes to improve SEI formation on graphite anodes. The oxalate ligands in NaBOB participate in SEI composition, creating a dense, stable layer that reduces electrolyte decomposition and extends cycle life (often exceeding 3,000 cycles in laboratory tests). This makes it valuable for electric vehicle (EV) and portable electronics batteries.

Sodium-Ion Batteries (SIBs): Serves as a primary electrolyte salt in SIBs, where its compatibility with hard carbon anodes and layered oxide cathodes enhances cycling stability. Its low cost and abundance (compared to lithium-based salts) align with the goal of developing affordable energy storage for grid applications.

Solid-State Batteries: Integrated into polymer and composite solid electrolytes, where its solubility in polymer matrices (e.g., PEO, PVDF) enhances ionic conductivity while maintaining mechanical strength, a critical step toward safer, more durable solid-state batteries.

Electrolyte Formulation: Improves the low-temperature performance of batteries by reducing electrolyte viscosity, enabling reliable operation in cold climates (e.g., EVs in sub-zero temperatures).

Advantages Over Conventional Electrolyte Salts

NaBOB offers significant benefits compared to traditional salts like LiPF₆, NaPF₆, and LiBF₄:

SEI Enhancement: Promotes the formation of a high-quality SEI layer, reducing irreversible capacity loss and improving long-term cycling stability—a key advantage in batteries where SEI integrity directly impacts performance.

Safety: Non-toxic composition (boron, oxalate) and high thermal stability reduce fire risks, making it suitable for large-scale energy storage systems and consumer electronics.

Environmental Compatibility: Degrades into non-hazardous byproducts, unlike fluorinated salts that release toxic fluoride compounds, simplifying disposal and reducing environmental impact.

Cost-Effectiveness: Lower production costs compared to specialty fluorinated salts, making it attractive for mass-market applications like grid storage and low-cost EVs.

Synthesis & Quality Control

NaBOB is synthesized through controlled chemical processes to ensure high purity:

Precursor Formation: Boric acid (H₃BO₃) reacts with oxalic acid (H₂C₂O₄) in aqueous solution to form bis(oxalato)boric acid (H[B(C₂O₄)₂]): H₃BO₃ + 2H₂C₂O₄ → H[B(C₂O₄)₂] + 3H₂O.

Sodiation: The intermediate acid is neutralized with sodium hydroxide (NaOH) or sodium carbonate (Na₂CO₃) in an organic solvent, followed by crystallization: H[B(C₂O₄)₂] + NaOH → Na[B(C₂O₄)₂] + H₂O.

Purification: Recrystallization from anhydrous solvents (e.g., acetonitrile) and vacuum drying remove impurities, achieving purity levels of 99.5% or higher.

Quality control includes:

Ion chromatography (IC) to verify anion purity and detect residual oxalate or borate impurities.

Inductively coupled plasma mass spectrometry (ICP-MS) to measure trace metals (typically <10 ppm).

Karl Fischer titration to ensure moisture content <20 ppm, critical for preventing hydrolysis in electrolyte formulations.

Safety & Handling

Proper handling of NaBOB is essential to maintain performance and safety:

Hygroscopicity: Moderately hygroscopic; store in sealed containers under inert gas (nitrogen or argon) to prevent moisture absorption and caking.

Toxicity: Low acute toxicity, but inhalation of dust or contact with skin/eyes may cause mild irritation. Use chemical-resistant gloves, goggles, and a lab coat when handling.

Reactivity: Stable under normal conditions but decomposes at high temperatures (>300°C) to release carbon oxides. Avoid contact with strong oxidizers or concentrated acids, which may accelerate decomposition.

Storage: Keep in a cool, dry, well-ventilated area, away from heat sources and direct sunlight.

Refer to the product’s Safety Data Sheet (SDS) for detailed safety guidelines and emergency response procedures.

Packaging & Availability

NaBOB is available in forms tailored to research and industrial needs:

Anhydrous Powder: Packaged in moisture-proof aluminum bags (100g–10kg) with inert gas purging to prevent hydration.

Pre-Dissolved Solutions: 0.1–0.5 M solutions in organic solvent blends (e.g., EC/DMC) for immediate use in electrolyte formulations, packaged in 1L–20L containers.

Bulk quantities (50kg+ drums) are available for pilot-scale battery production. High-purity grades (99.9%) with ultra-low metal impurities are offered for advanced research and semiconductor applications.

For technical specifications, pricing, or sample requests, contact our team specializing in advanced electrolyte materials for energy storage systems.

Health & Safety Information 

Signal Word: N/A 

Hazard Statements: F, N 

Hazard Codes: N/A 

Risk Codes: N/A 

Safety Statements: N/A 

RTECS Number: N/A 

Transport Information: N/A

Chemical Identifiers 

Linear Formula: CH3(CH2)16CO2Li 

Pubchem CID: 517357 

MDL Number: MFCD00042032 

EC No.: 224-772-5 

IUPAC Name: lithium; octadecanoate 

SMILES: [Li+].CCCCCCCCCCCCCCCCCC(=O)[O-] 

InchI Identifier: InChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1 

InchI Key: HGPXWXLYXNVULB-UHFFFAOYSA-M

Packing of Standard Packing: 

Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Solutions are packaged in polypropylene, plastic or glass jars up to palletized 735 gallon liquid totes Special package is available on request.