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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

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About This Item

Empirical Formula (Hill Notation):
C3H6O4S
CAS Number:
Molecular Weight:
138.14
UNSPSC Code:
12352100
MDL number:
NACRES:
NA.21
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Quality Segment

grade

anhydrous, battery grade

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
battery precursors

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

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.


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Signal Word

Danger

Hazard Classifications

Carc. 2 - Eye Dam. 1 - Muta. 2 - Skin Sens. 1B

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable



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