Description

4-Methyl-1,3,2-dioxathiane 2-oxide (CAS No. 4426-51-1) is a high-purity sulfur-containing heterocyclic compound with the molecular formula C₄H₈O₃S. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique structural properties. The compound features a six-membered dioxathiane ring with a methyl substituent at the 4-position and a sulfoxide functional group, making it a valuable intermediate for the development of novel molecules.

Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for researchers requiring precise and reproducible results, this compound is available in quantities ranging from milligrams to kilograms, with custom synthesis options upon request. Safety data sheets (SDS) and certificates of analysis (CoA) are provided with every order.

Properties

• CAS Number: 4426-51-1
• Complexity: 103
• IUPAC Name: 4-methyl-1,3,2-dioxathiane 2-oxide
• InChI: InChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
• InChI Key: WGMZCGUVEQNCCE-UHFFFAOYSA-N
• Exact Mass: 136.01941529
• Molecular Formula: C4H8O3S
• Molecular Weight: 136.17
• SMILES: CC1CCOS(=O)O1
• Topological: 54.7
• Monoisotopic Mass: 136.01941529
• Synonyms: 4-Methyl-1,3,2-dioxathiane 2-oxide, 1,3,2-Dioxathiane, 4-methyl-, 2-oxide, DTXSID00871075, DTXCID00818748, 1,3,2-Dioxathiane, 4-methyl-, 2-oxide (9CI), 4426-51-1, 1,3-Butylene sulphite, FDA 0477, 4-Methyltrimethylene sulfite, NSC-60195, 1,3-BUTANEDIOL, CYCLIC SULFITE, 1,3,2-Dioxathiane, 4-methyl, 2-oxide, 4-METHYL-1,3,2??-DIOXATHIAN-2-ONE, NSC60195, NSC104116, 4-Methyl-trimethylene sulfite, 1,3,2-Dioxathiane,4-methyl-, 2-oxide, EINECS 224-608-2, NSC 60195, NSC 104116, BRN 1237514, 1,3-Butanediol cyclic sulfite, AI3-61410, UNII-67XN5096N4, NCIOpen2_007294, 4-01-00-02510 (Beilstein Handbook Reference), WLN: T6OSOTJ BO D1, SCHEMBL5989605, BUTANEDIOL CYCLIC SULFITE, NSC104115, AKOS024429062, 1,2-Dioxathiane, 4-methyl, 2-oxide, 67XN5096N4, NSC-104115, NSC-104116, 1,2-Dioxathiane, 4-methyl-, 2-oxide, 1,3,2-Dioxathiane,4-methyl-,2-oxide, 4-methyl-[1,3,2]dioxathiane 2-oxide, 4-methyl-1,3,2|E?-dioxathian-2-one, AS-61760, CS-0452558, NS00048741, A12529

Application

4-Methyl-1,3,2-dioxathiane 2-oxide serves as a key intermediate in the synthesis of sulfur-containing pharmaceuticals and agrochemicals. Its sulfoxide moiety is particularly useful in asymmetric synthesis and catalysis. Researchers also employ this compound in polymer chemistry to modify material properties. Additionally, it finds applications in coordination chemistry as a ligand for transition metals.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.