CAS 898755-45-8

1-(4-Butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone

Description:

1-(4-Butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone, with the CAS number 898755-45-8, is an organic compound characterized by its complex structure, which includes a butylphenyl group and a dioxane moiety. This compound typically exhibits properties associated with ketones, such as being a liquid at room temperature and having a relatively high boiling point due to its larger molecular size. It is likely to be soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the butyl group. The presence of the dioxane ring suggests potential for interesting chemical reactivity, including the possibility of undergoing ring-opening reactions under certain conditions. Additionally, the compound may exhibit specific optical properties, making it of interest in applications such as organic electronics or as a potential intermediate in synthetic organic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₂₁H₃₂O₃

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

InChI key: InChIKey=ISNMWMYSMHCGEZ-UHFFFAOYSA-N

SMILES: C(CCCCC1OCC(C)(C)CO1)(=O)C2=CC=C(CCCC)C=C2

Synonyms:

• 1-(4-Butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone
• 1-Pentanone, 1-(4-butylphenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-