CAS 108593-47-1

Methyl 3-ethoxybenzoate

Description:

Methyl 3-ethoxybenzoate, with the CAS number 108593-47-1, is an organic compound belonging to the class of benzoates. It features a methyl ester functional group and an ethoxy substituent on the aromatic ring, specifically at the meta position. This compound is typically a colorless to pale yellow liquid with a pleasant, sweet aroma, making it potentially useful in flavoring and fragrance applications. Methyl 3-ethoxybenzoate is characterized by its moderate solubility in organic solvents and limited solubility in water, which is common for many esters. Its chemical structure allows for various reactions, including hydrolysis, transesterification, and substitution reactions, making it versatile in synthetic organic chemistry. Additionally, it may exhibit biological activity, which could be of interest in pharmaceutical research. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance, to ensure proper safety measures are taken during its use.

Formula: C₁₀H₁₂O₃

InChI: InChI=1/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3

SMILES: CCOc1cccc(c1)C(=O)OC

Synonyms:

• 3-Ethoxybenzoic acid methyl ester

Methyl 3-ethoxybenzoate

CAS: 108593-47-1

Formula: C₁₀H₁₂O₃

Purity: 96%

Color and Shape: Liquid

Molecular weight: 180.2005

Ref: IN-DA003RS5

Methyl 3-ethoxybenzoate

CAS: 108593-47-1

Methyl 3-ethoxybenzoate

Purity: 98%

Molecular weight: 180.20g/mol

Ref: 54-OR907890

Methyl 3-ethoxybenzoate

CAS: 108593-47-1

Methyl 3-ethoxybenzoate is a molecule that binds to a receptor on the surface of human immunodeficiency virus (HIV) and disrupts the virus from binding to CD4, a molecule found on the surface of T cells. The ligand is able to be superimposed onto the template molecule, which is a chemical compound that binds to HIV. The ligand interacts with the receptor in order to prevent it from binding with CD4, thereby causing an interruption in the life cycle of HIV. This interaction can be optimized by chemotypes, molecules that have similar structures or properties as other molecules. The optimization process also involves identifying pharmacophores, which are groups of atoms that are responsible for specific functions in drug molecules.

Formula: C₁₀H₁₂O₃

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 180.2 g/mol

Ref: 3D-FM71085

Methyl 3-ethoxybenzoate

CAS: 108593-47-1

Purity: 96%

Molecular weight: 180.2030029

Ref: 10-F635982