CAS 898787-27-4

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

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)-1-butanone, identified by its CAS number 898787-27-4, is an organic compound characterized by its complex molecular structure, which includes a dioxane ring and a butanone moiety. This compound typically exhibits properties associated with ketones, such as being a liquid at room temperature and having a distinctive odor. Its structure suggests potential applications in fragrance formulations or as an intermediate in organic synthesis. The presence of the dioxane ring may impart stability and influence solubility in various solvents, while the pentylphenyl group can enhance hydrophobic interactions. Additionally, the compound may exhibit specific reactivity patterns typical of ketones, such as nucleophilic addition. Safety data and handling precautions should be considered, as with any chemical substance, to mitigate risks associated with exposure. Overall, this compound's unique structure and properties make it of interest in both industrial and research contexts.

Formula: C₂₁H₃₂O₃

InChI: InChI=1S/C21H32O3/c1-4-5-6-8-17-11-13-18(14-12-17)19(22)9-7-10-20-23-15-21(2,3)16-24-20/h11-14,20H,4-10,15-16H2,1-3H3

InChI key: InChIKey=JJWGZJGZKSUOCJ-UHFFFAOYSA-N

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

Synonyms:

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