Description

Propylene Sulfite (CAS 40811-14-1) is a high-purity cyclic sulfite ester with the molecular formula C₃H₆O₃S, also known by its IUPAC name 4-methyl-1,3,2-dioxathiolane 2-oxide. This specialized chemical is widely utilized in advanced electrochemical applications, particularly as a key additive in lithium-ion battery electrolytes due to its ability to enhance electrode stability and improve cycle life. Its cyclic structure and sulfite functional group contribute to its effectiveness as a film-forming agent on anode surfaces.

Our Propylene Sulfite is synthesized under stringent quality controls to ensure >99% purity, making it ideal for research and industrial applications. It is supplied as a clear, colorless liquid with a molecular weight of 122.14 g/mol, boiling point of 120-122°C (10 mmHg), and density of 1.3 g/cm³. Proper storage under inert atmosphere is recommended to maintain stability.

Synonyms include: 1,2-Propanediol sulfite, AI3-22919, and SULFUROUS ACID, CYCLIC ESTER with 1,2-PROPANEDIOL.

Properties

• CAS Number: 40811-14-1
• Complexity: 92.2
• IUPAC Name: 4-methyl-1,3,2-dioxathiolane 2-oxide
• InChI: InChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3
• InChI Key: SJHAYVFVKRXMKG-UHFFFAOYSA-N
• Exact Mass: 122.00376522
• Molecular Formula: C3H6O3S
• Molecular Weight: 122.15
• SMILES: CC1COS(=O)O1
• Topological: 54.7
• Monoisotopic Mass: 122.00376522
• Synonyms: 1469-73-4, Propylene sulfite, 1,2-Propanediol sulfite, AI3-22919, SULFUROUS ACID, CYCLIC ESTER with 1,2-PROPANEDIOL, sjhayvfvkrxmkg-uhfffaoysa-n, 4-Methyl-1,3,2-dioxathiolane 2-oxide, 1,3,2-Dioxathiolane, 4-methyl-, 2-oxide, Cyclic propylene sulfite, Propane-1,2-cyclic sulfite, 1,2-Propylene glycol sulfite, Propylene sulfite (C3H6O2)SO, Sulfurous acid, cyclic propylene ester, 1,2-Propanediol, cyclic sulfite, NSC 44145, NSC 525703, 4-METHYL-1,3,2??-DIOXATHIOLAN-2-ONE, 40811-14-1, 1,2-Propyleneglycol Sulfite, WLN: T6OSOTJ BO, Sulfurous acid,2-propanediol, 1,3,2-Dioxathiolane, 4-methyl-, 2-oxide, trans-, Propane 1,2-Cyclic Sulfite, 1,2-Dioxathiolane, 4-methyl-, 2-oxide, MFCD00041209, 4-Methyl-1,3,2-dioxathiolane2-oxide, 1,2-propylene sulfite, SCHEMBL126716, 1,2-Propanediol Cyclic Sulfite, CHEMBL1980710, DTXSID80932956, NSC44145, NSC-44145, NSC525703, AKOS006273771, 1,2-Propyleneglycol sulfite, >=98%, NSC-525703, AS-64052, NCI60_004285, 4-Methyl-1,3,2-dioxathiolane 2-oxide #, DB-241968, M2471, (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide, (4S)-4-methyl-1,3,2-dioxathiolane 2-oxide, 4-Methyl-1,3,2lambda~4~-dioxathiolan-2-one, D91602, 1006381-02-7, 221370-80-5

Application

Propylene Sulfite is primarily employed as an electrolyte additive in lithium-ion batteries, where it forms a stable solid-electrolyte interphase (SEI) layer on graphite anodes, preventing decomposition and improving battery performance. It also finds use in organic synthesis as a sulfonating agent and in polymer chemistry as a reactive intermediate. Researchers value its role in studying interfacial chemistry in energy storage systems.

Safety and Hazards

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2 (100%)

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