CAS 898787-21-8

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-ethylphenyl)-1-butanone

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-ethylphenyl)-1-butanone, with the CAS number 898787-21-8, is an organic compound characterized by its complex structure, which includes a dioxane ring and a ketone functional group. This compound typically exhibits properties associated with both aromatic and aliphatic systems due to the presence of the ethylphenyl group and the butanone moiety. It is likely to be a colorless to pale yellow liquid or solid, depending on its specific formulation and purity. The presence of the dioxane ring suggests potential solubility in polar organic solvents, while the aromatic component may contribute to its stability and reactivity. This compound may be of interest in various applications, including fragrance formulation, as well as in the synthesis of other chemical entities. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₈H₂₆O₃

InChI: InChI=1S/C18H26O3/c1-4-14-8-10-15(11-9-14)16(19)6-5-7-17-20-12-18(2,3)13-21-17/h8-11,17H,4-7,12-13H2,1-3H3

InChI key: InChIKey=XCAFIODIRIYLRG-UHFFFAOYSA-N

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

Synonyms:

• 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-ethylphenyl)-1-butanone
• 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-ethylphenyl)-