Description

3-Oxetanone (CAS 6704-31-0) is a highly versatile heterocyclic organic compound with the molecular formula C₃H₄O₂. Also known as oxetan-3-one, this four-membered cyclic ketone features a reactive oxetane ring, making it a valuable building block in synthetic organic chemistry and pharmaceutical research. Its strained ring structure imparts unique reactivity, particularly in polymerization and ring-opening reactions.

This compound is supplied as a high-purity liquid (typically >95% by GC) and should be stored under inert conditions due to its sensitivity to moisture and air. Researchers utilize 3-Oxetanone as a precursor for advanced materials, including photo-crosslinkable polymers and bioorthogonal chemistry applications. The compound’s IUPAC name is oxetan-3-one, with alternative nomenclature including 1,3-Epoxy-2-propanone.

Key applications include its use as:

• A monomer for functional polymer synthesis
• A versatile intermediate in medicinal chemistry
• A reactive handle for bioconjugation strategies

Proper handling requires appropriate personal protective equipment due to potential irritant properties.

Properties

• CAS Number: 6704-31-0
• Complexity: 51.9
• IUPAC Name: oxetan-3-one
• InChI: InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2
• InChI Key: ROADCYAOHVSOLQ-UHFFFAOYSA-N
• Exact Mass: 72.021129366
• Molecular Formula: C3H4O2
• Molecular Weight: 72.06
• SMILES: C1C(=O)CO1
• Topological: 26.3
• Monoisotopic Mass: 72.021129366
• Synonyms: 3-oxetanone, Oxetan-3-one, 1,3-Epoxy-2-propanone, TGB3B74HZP, 2-Propanone, 1,3-epoxy-, DTXSID80567101, DTXCID50517875, 664-396-2, 6704-31-0, MFCD09263255, CHEMBL4779660, 3-oxooxetane, oxetane-3-one, oxentan-3-on, C3H4O2, oxetan-3-on, UNII-TGB3B74HZP, SCHEMBL17043, SCHEMBL3370761, ROADCYAOHVSOLQ-UHFFFAOYSA-N, BCP05482, CS-M1912, STR08949, BBL101506, BDBM50551697, STL555302, AKOS005259076, PB20352, HY-76440, SY003915, DB-013764, O0467, EN300-69922, Q753254

Application

3-Oxetanone serves as a key synthetic intermediate in organic synthesis, particularly for constructing complex heterocycles through ring-opening reactions. In materials science, it functions as a reactive monomer for developing novel polymers with tailored properties. The compound’s strained ring system makes it valuable for studying reaction kinetics and developing new catalytic methodologies.

Safety and Hazards

GHS Hazard Statements

• H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (93.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (89.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (89.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (91.8%): 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, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (98%)
• Acute Tox. 4 (89.8%)
• Skin Irrit. 2 (93.9%)
• Skin Sens. 1 (89.8%)
• Eye Dam. 1 (89.8%)
• STOT SE 3 (91.8%)

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