CAS 898787-29-6

4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)butan-1-one

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)butan-1-one, with the CAS number 898787-29-6, is a synthetic organic compound that belongs to the class of ketones. This substance features a complex molecular structure characterized by a butanone backbone, which is substituted with a hexylphenyl group and a dioxane moiety. The presence of the dioxane ring contributes to its stability and solubility properties. Typically, compounds of this nature exhibit moderate to high lipophilicity due to the long alkyl chain, which can influence their behavior in biological systems and their potential applications in various fields, including materials science and pharmaceuticals. The compound may also exhibit interesting photophysical properties, making it suitable for use in organic light-emitting diodes (OLEDs) or as a dye. However, specific reactivity, toxicity, and environmental impact would require further investigation through empirical studies and safety assessments.

Formula: C₂₂H₃₄O₃

InChI: InChI=1/C22H34O3/c1-4-5-6-7-9-18-12-14-19(15-13-18)20(23)10-8-11-21-24-16-22(2,3)17-25-21/h12-15,21H,4-11,16-17H2,1-3H3

SMILES: CCCCCCc1ccc(cc1)C(=O)CCCC1OCC(C)(C)CO1