CAS 78968-28-2

Ethyl 2-chloro-4-methylpentanoate

Description:

Ethyl 2-chloro-4-methylpentanoate is an organic compound classified as an ester, characterized by its ethyl ester functional group and a chloro-substituted pentanoic acid backbone. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, which is common among esters. It has a moderate boiling point and is generally soluble in organic solvents while being less soluble in water due to its hydrophobic alkyl chains. Ethyl 2-chloro-4-methylpentanoate is often used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the presence of the chlorine atom, which can participate in nucleophilic substitution reactions. Safety data indicates that it should be handled with care, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be taken to avoid skin and eye contact. Overall, this compound exemplifies the diverse applications and characteristics of chlorinated esters in chemical synthesis.

Formula: C₈H₁₅ClO₂

InChI: InChI=1S/C8H15ClO2/c1-4-11-8(10)7(9)5-6(2)3/h6-7H,4-5H2,1-3H3

InChI key: InChIKey=JBMHQMNLLJGXQR-UHFFFAOYSA-N

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

Synonyms:

• Pentanoic acid, 2-chloro-4-methyl-, ethyl ester
• Ethyl 2-chloro-4-methylpentanoate

Ethyl 2-chloro-4-methylpentanoate

CAS: 78968-28-2

Versatile small molecule scaffold

Formula: C₈H₁₅ClO₂

Purity: Min. 95%

Molecular weight: 178.65 g/mol

Ref: 3D-DDA96828