2-oxaspiro[3.3]heptan-6-one

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2-oxaspiro[3.3]heptan-6-one structure
Structural Feature
Oxaspiro scaffold Oxetane scaffold
Reactive Feature
Ketone
Synthesis Role
Spirocyclic building block
Application Context
Pharmaceutical intermediate
CAS Number1339892-66-8
EC/List No.840-774-4
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
AppearanceColorless to light yellow liquid
SMILESO=C1CC2(COC2)C1
InChIKeyJWNCVDJOXJTJPB-UHFFFAOYSA-N
Description2-Oxaspiro[3.3]heptan-6-one, an oxygen-containing spirocyclic ketone building block. The oxygen-containing ring and carbonyl provide hydrogen-bond acceptor character and may help modulate molecular polarity.
ApplicationsPharmaceutical intermediate; spirocyclic building block; oxygen heterocycle
Hazard ClassSkin Corr. 1B; Eye Dam. 1
Hazard StatementsH314; H318
Precautionary StatementsP260; P264; P280; P301+P330+P331; P303+P361+P353; P304+P340; P305+P351+P338+P310; P321; P363; P405; P501

Calculated / Predicted Properties

Estimated Boiling Point215.6 °C (predicted)
Estimated Density1.19 g/cm³ (predicted)