CAS 898785-86-9

1-(2-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone

Description:

1-(2-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone, with the CAS number 898785-86-9, is an organic compound characterized by its unique structure that includes a chlorophenyl group and a dioxane moiety. This compound typically exhibits properties associated with ketones, such as being a polar solvent and having a distinct odor. The presence of the chlorophenyl group may impart specific reactivity and biological activity, potentially influencing its applications in pharmaceuticals or agrochemicals. The dioxane ring contributes to the compound's stability and solubility in organic solvents. Additionally, the presence of the dimethyl substituents can affect the steric hindrance and overall molecular interactions. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would depend on the specific conditions and purity of the substance. Safety data should be consulted for handling and storage, as the chlorinated compounds can pose environmental and health risks.

Formula: C₁₆H₂₁ClO₃

InChI: InChI=1S/C16H21ClO3/c1-16(2)10-19-15(20-11-16)9-5-8-14(18)12-6-3-4-7-13(12)17/h3-4,6-7,15H,5,8-11H2,1-2H3

InChI key: InChIKey=MTZUMZGNQJWLSD-UHFFFAOYSA-N

SMILES: C(CCCC1OCC(C)(C)CO1)(=O)C2=C(Cl)C=CC=C2

Synonyms:

• 1-Butanone, 1-(2-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-
• 1-(2-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone