CAS 869088-28-8

Benzoic acid, 3-chloro-2-ethoxy-, ethyl ester

Description:

Benzoic acid, 3-chloro-2-ethoxy-, ethyl ester, identified by the CAS number 869088-28-8, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a chloro substituent at the 3-position and an ethoxy group at the 2-position of the benzene ring, contributing to its unique chemical properties. Typically, esters like this one are known for their pleasant fragrances and are often used in flavoring and fragrance applications. The presence of the chloro group can influence the compound's reactivity, potentially making it more electrophilic. Additionally, the ethyl ester form suggests that it may exhibit moderate solubility in organic solvents while being less soluble in water due to the hydrophobic nature of the aromatic ring and the ethyl group. This compound may also be of interest in synthetic organic chemistry for its potential use as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₁₁H₁₃ClO₃

InChI: InChI=1S/C11H13ClO3/c1-3-14-10-8(11(13)15-4-2)6-5-7-9(10)12/h5-7H,3-4H2,1-2H3

InChI key: InChIKey=SUFLAWQQNLCGFU-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(OCC)C(Cl)=CC=C1

Synonyms:

• Benzoic acid, 3-chloro-2-ethoxy-, ethyl ester