939927

1,3-Propanediol cyclic sulfate

≥99.5%, ≤5 μmol/g acid, anhydrous, battery grade

• Synonym(s): 1,3,2-Dioxathiane 2,2-dioxide, 1,3,2-dioxathiane-2,2-dione, PCS battery additive, Trimethylene sulfate
• Empirical Formula (Hill Notation): C₃H₆O₄S
• CAS Number: 1073-05-8
• Molecular Weight: 138.14
• MDL number: MFCD00801144
• UNSPSC Code: 12352100

Properties

• grade: anhydrous; battery grade
• Quality Level: 100
• assay: ≥99.5%
• form: powder or crystals
• impurities: ≤100 ppm H₂O; ≤5 μmol/g acid
• bp: 153 °C
• mp: 58-62 °C (lit.); 59-62 °C
• solubility: soluble (H₂O: highly soluble(lit.)); soluble (carbonates: soluble(lit.)); soluble (glymes: soluble(lit.))
• application(s): battery manufacturing
• SMILES string: O=S1(=O)OCCCO1
• InChI: 1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2
• InChI key: OQYOVYWFXHQYOP-UHFFFAOYSA-N

Description

General description

1,3-propanediol cyclic sulfate, abbreviated PCS, is a white solid at room temperature. PCS is soluble in water, carbonates, glymes, and many of the polar solvents used in battery liquid electrolytes.

Application

1,3-propanediol cyclic sulfate is used as a film-forming additive in battery liquid electrolytes and hybrid liquid-solid electrolytes, at concentrations up to 3%. During battery operation, 1,3-propanediol cyclic sulfate (PCS) is sacrificially reduced on the surface of the anode to form a protective and ionically conductive SEI layer and is sacrificially oxidized on the cathode to form a protective and ionically conductive CEI layer. Recent results show PCS helps form a sulfur-rich layer on graphite, NMC, LiCoO₂, and LiMNO electrodes. These layers significantly improve the battery’s cycling performance at high temperatures and inhibits the production of gas.[] Our battery grade PCS meets specifications for high purity, low moisture, and low acid content to facilitate optimal performance of your electrolyte formulation.

Safety Information

• pictograms: GHS08,GHS05,GHS07
• signalword: Danger
• hcodes: H317,H318,H341,H351
• pcodes: P202 - P261 - P280 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 2 - Eye Dam. 1 - Muta. 2 - Skin Sens. 1B
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable