CAS 88053-65-0

2-Propenoic acid, 2-cyano-3-(4-methylphenyl)-, hexadecyl ester

Description:

2-Propenoic acid, 2-cyano-3-(4-methylphenyl)-, hexadecyl ester, commonly referred to by its CAS number 88053-65-0, is an organic compound characterized by its ester functional group derived from a long-chain fatty alcohol (hexadecyl alcohol) and a cyano-substituted acrylic acid derivative. This compound typically exhibits properties associated with both esters and acrylates, such as being a colorless to pale yellow liquid with a characteristic odor. It is likely to be soluble in organic solvents while having limited solubility in water due to its hydrophobic hexadecyl chain. The presence of the cyano group and the aromatic ring contributes to its reactivity, making it suitable for applications in polymer chemistry, particularly in the synthesis of specialty polymers and coatings. Additionally, its structure suggests potential uses in the formulation of surfactants or as an intermediate in organic synthesis. Safety data should be consulted for handling and exposure guidelines, as compounds of this nature may pose health risks.

Formula: C₂₇H₄₁NO₂

InChI: InChI=1S/C27H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-27(29)26(23-28)22-25-19-17-24(2)18-20-25/h17-20,22H,3-16,21H2,1-2H3

InChI key: AFYADBUKMJGKKH-UHFFFAOYSA-N

SMILES: CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C)C#N