Description

4-Methyl-1,3,2-dioxathiolane 2,2-Dioxide (CAS No. 5689-83-8) is a high-purity cyclic sulfate ester with the molecular formula C₃H₆O₄S. This specialized organic compound is widely utilized in synthetic chemistry, particularly as a versatile alkylating or sulfonating agent. Its cyclic structure and reactive sulfate group make it valuable for constructing complex molecular architectures in pharmaceutical and materials science research. Available in rigorously controlled purity grades, this product is ideal for demanding applications where consistency and performance are critical. Proper handling under inert conditions is recommended due to its reactivity.

Properties

• CAS Number: 5689-83-8
• Complexity: 164
• IUPAC Name: 4-methyl-1,3,2-dioxathiolane 2,2-dioxide
• InChI: InChI=1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3
• InChI Key: OQXNUCOGMMHHNA-UHFFFAOYSA-N
• Exact Mass: 137.99867984
• Molecular Formula: C3H6O4S
• Molecular Weight: 138.14
• SMILES: CC1COS(=O)(=O)O1
• Topological: 61
• Monoisotopic Mass: 137.99867984
• Synonyms: 4-methyl-1,3,2-dioxathiolane 2,2-dioxide, 806-954-1, 5689-83-8, 1,2-Propanediol-cyclic sulfate, propylene sulfate, PROPANE 1,2-CYCLIC SULFATE, 1,3,2-Dioxathiolane, 4-methyl-, 2,2-dioxide, 4-Methyl-2,2-dioxo-1,3,2-dioxathiolane, Propane-1,2-cyclic sulfate, 4-Methyl-[1,3,2]dioxathiolane 2,2-dioxide, (4R)-Methyl-[1,3,2]dioxathiolane 2,2-dioxide, MFCD26131319, 1,2-propylene sulfate, (4S)-4-Methyl-1,3,2-dioxathiolane-2,2-dioxide, 4-Methyl-1,3,2-dioxathiolane2,2-Dioxide, Propylene sulfate, >=99%, SCHEMBL126250, 1,2-Propanediol Cyclic Sulfate, DTXSID80433357, OQXNUCOGMMHHNA-UHFFFAOYSA-N, FAA68983, MFCD08703327, AKOS006289287, SB30072, SB34279, SB37706, BS-32573, SY247372, 4-methyl-1,3,2-dioxathiolane-2,2-dione, DB-129006, 4-methyl-1,3,2-dioxathiolane-2,2-dioxide, CS-0208009, M2470, 1,3,2-Dioxathiolane,4-methyl-,2,2-dioxide, 4-methyl-1,3,2lambda-dioxathiolane-2,2-dione, H10841, 4-methyl-1,3,2lambda6-dioxathiolane-2,2-dione, EN300-1710177, 4-Methyl-1,3,2lambda~6~-dioxathiolane-2,2-dione, 1,3,2-Dioxathiolane, 4-methyl-, 2,2- dioxide, (4S)-

Application

4-Methyl-1,3,2-dioxathiolane 2,2-dioxide serves as a key reagent in organic synthesis, particularly for introducing sulfate groups in nucleophilic substitution reactions. It finds application in the preparation of specialty chemicals and pharmaceutical intermediates where controlled sulfonation is required. Researchers also employ this compound in polymer chemistry to modify material properties through ring-opening reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H351 (33.3%): Suspected of causing cancer [Warning Carcinogenicity]

Precautionary Statements

• P203, P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Corr. 1B (33.3%)
• Skin Sens. 1 (33.3%)
• STOT SE 3 (33.3%)
• Muta. 2 (66.7%)
• Carc. 2 (33.3%)

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