Atomfair 2,2-Dimethyl-1,3-dioxan-5-one C6H10O3 CAS 74181-34-3

Description

2,2-Dimethyl-1,3-dioxan-5-one (CAS No. 74181-34-3) is a high-purity cyclic ketone ester with the molecular formula C₆H₁₀O₃. This specialized organic compound is characterized by its unique dioxane ring structure, which features a ketone group at the 5-position and two methyl groups at the 2-position, enhancing its stability and reactivity profile. With a molar mass of 130.14 g/mol, it is a versatile intermediate in fine chemical synthesis, particularly in the production of pharmaceuticals, agrochemicals, and advanced materials. Available in >98% purity (GC), this compound is supplied as a clear, colorless to pale yellow liquid with a characteristic ester-like odor. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. Suitable for research and industrial applications requiring controlled reactivity in heterocyclic chemistry.

Properties

• CAS Number: 74181-34-3
• Complexity: 116
• IUPAC Name: 2,2-dimethyl-1,3-dioxan-5-one
• InChI: InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3
• InChI Key: ASFQDNDZFGFMMP-UHFFFAOYSA-N
• Exact Mass: 130.062994177
• Molecular Formula: C6H10O3
• Molecular Weight: 130.14
• SMILES: CC1(OCC(=O)CO1)C
• Topological: 35.5
• Monoisotopic Mass: 130.062994177
• Synonyms: 2,2-Dimethyl-1,3-dioxan-5-one, 74181-34-3, DTXSID20369767, DTXCID70320803, 633-347-7, 2,2-DIMETHYL-1,3-DIOXANE-5-ONE, MFCD00671514, 1,3-Dioxan-5-one, 2,2-dimethyl-, 2,2-Dimethyl-[1,3]dioxan-5-one, SCHEMBL177657, 5-oxo-2,2-dimethyl-1,3-dioxane, BCP18840, BBL102278, STL556077, AKOS000278375, AC-6413, CS-W006362, MB01392, BP-20600, DS-12885, SY023891, DB-002401, D2397, 2,2-Dimethyl-1,3-dioxan-5-one, AldrichCPR, EN300-136503, F10411

Application

2,2-Dimethyl-1,3-dioxan-5-one serves as a key building block in organic synthesis, particularly for constructing complex heterocyclic frameworks. Researchers utilize this compound as a protected form of dihydroxyacetone in carbohydrate chemistry and as a precursor for chiral auxiliaries. Its stability makes it valuable in controlled-release formulations and polymer chemistry applications. The compound’s reactivity profile allows for selective transformations in medicinal chemistry projects targeting bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (97.6%)
• Skin Irrit. 2 (97.6%)
• Eye Dam. 1 (92.9%)
• STOT SE 3 (97.6%)

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