Ethyl 6-hydroxy-3,3-dimethyl-2-oxocyclohexanecarboxylate
[CAS# 819796-37-7]

Identification

• Name: Ethyl 6-hydroxy-3,3-dimethyl-2-oxocyclohexanecarboxylate
• Synonyms: Ethyl 6-hydroxy-3,3-dimethyl-2-oxo-cyclohexanecarboxylate
• Molecular Formula: C₁₁H₁₈O₄
• Molecular Weight: 214.26
• CAS Registry Number: 819796-37-7
• SMILES: CCOC(=O)C1C(CCC(C1=O)(C)C)O
• InChI: 1S/C11H18O4/c1-4-15-10(14)8-7(12)5-6-11(2,3)9(8)13/h7-8,12H,4-6H2,1-3H3
• InChIKey: AYJRDMLQRLVBGS-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 312.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 114.7±21.4°C (Cal.)
• Refractive index: 1.476 (Cal.)

References

• (1): Mark D. Keränen, Kinga Kot, Christoph Hollmann and Peter Eilbracht. Sequential hydroformylation/aldol reactions: versatile and controllable access to functionalised carbocycles from unsaturated carbonyl compounds, Org. Biomol. Chem., 2004, 2, 3379.