Description

2,5-Dihydroxy-1,4-Dithiane (CAS No. 40018-26-6) is a highly versatile and stable organic compound with the molecular formula C₄H₈O₂S₂. This dithiane derivative is widely recognized for its role as a key intermediate in organic synthesis, particularly in the production of flavor and fragrance compounds. Its unique structure, featuring two hydroxyl groups and a dithiane ring, makes it a valuable building block for pharmaceuticals, agrochemicals, and specialty chemicals. Available in high purity grades (≥90% to 97%), this compound is rigorously tested to meet industry standards, ensuring consistent performance in research and industrial applications. Suitable for use in a variety of solvent systems, it is packaged under inert conditions to maintain stability and shelf life.

Properties

• CAS Number: 40018-26-6
• Complexity: 68.4
• IUPAC Name: 1,4-dithiane-2,5-diol
• InChI: InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
• InChI Key: YUIOPHXTILULQC-UHFFFAOYSA-N
• Exact Mass: 151.99657184
• Molecular Formula: C4H8O2S2
• Molecular Weight: 152.2
• SMILES: C1C(SCC(S1)O)O
• Topological: 91.1
• Monoisotopic Mass: 151.99657184
• Physical Description: white to off-white powder
• Melting Point: 130.00 °C. @ 760.00 mm Hg
• Solubility: slightly
• Synonyms: 1,4-Dithiane-2,5-diol, 40018-26-6, 2,5-Dihydroxy-1,4-dithiane, Mercaptoacetaldehyde dimer, R4F79F1JB0, EINECS 254-751-6, NSC-106280, P-DIATHANE-2,5-DIOL, FEMA NO. 3826, DTXSID90865983, EC 254-751-6, NSC 106280, 2,5-DIHYDROXY-1,4-DITHIANE [FHFI], DTXCID80814329, 254-751-6, p-Dithiane-2,5-diol, MFCD00006659, [1,4]dithiane-2,5-diol, 2,5-Dihydroxy-1,4-dithian, Dithian, UNII-R4F79F1JB0, 1,4dithiane-2,5diol, 4-dithiane-2,5-diol, 1,4-dithian-2,5-diol, 1,4 dithiane-2,5 diol, 1,4 dithiane-2,5-diol, SCHEMBL140548, [1,4]-dithiane-2,5-diol, FEMA 3826, CHEBI:179581, 1,4-Dithiane-2,5-diol, 97%, NSC106280, SBB057060, STL185668, AKOS000119056, AC-5633, CS-W018087, FD15929, SY003519, DB-000131, D1761, NS00005598, ST50824371, EN300-18984, D71095, 1,4-Dithiane-2,5-diol, technical, >=90% (S), Q27287782, F0001-1126

2,5-Dihydroxy-1,4-Dithiane is primarily used as a precursor in the synthesis of sulfur-containing flavor compounds, such as meaty and roasted flavors. It also serves as a key intermediate in the preparation of thiol-based pharmaceuticals and agrochemicals. Researchers utilize this compound in the development of novel heterocyclic frameworks due to its reactive hydroxyl and sulfur functionalities. Its stability and versatility make it a preferred choice for both academic and industrial applications.

Safety and Hazards

GHS Hazard Statements

• H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H412 (95.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.2%)
• Skin Sens. 1A (99.9%)
• Eye Dam. 1 (98%)
• Aquatic Chronic 3 (95.3%)

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