CAS 1119088-79-7

Benzoic acid, 2-chloro-5-cyclopropyl-, ethyl ester

Description:

Benzoic acid, 2-chloro-5-cyclopropyl-, ethyl ester, identified by the CAS number 1119088-79-7, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethyl alcohol. This compound features a chloro substituent at the 2-position and a cyclopropyl group at the 5-position of the benzoic acid moiety, 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, making it potentially useful in various chemical syntheses. Additionally, the cyclopropyl group may impart distinctive steric and electronic effects, affecting the compound's behavior in chemical reactions. As with many organic compounds, it is important to handle this substance with care, considering its potential toxicity and environmental impact. Overall, this compound exemplifies the diverse structural variations possible within the ester class of organic compounds.

Formula: C₁₂H₁₃ClO₂

InChI: InChI=1S/C12H13ClO2/c1-2-15-12(14)10-7-9(8-3-4-8)5-6-11(10)13/h5-8H,2-4H2,1H3

InChI key: InChIKey=DYRAXJTYMHFVAO-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=C(C=CC1Cl)C2CC2

Synonyms:

• Ethyl 2-chloro-5-cyclopropylbenzoate
• Benzoic acid, 2-chloro-5-cyclopropyl-, ethyl ester