Description

Ethyl 8-chlorooctanoate (CAS No. 105484-55-7) is a high-purity organic compound with the molecular formula C₁₀H₁₉ClO₂, widely utilized in pharmaceutical and chemical research. This ester derivative of 8-chlorooctanoic acid features an ethyl ester group at the carboxyl terminus, making it a versatile intermediate for synthetic applications. Its clear to pale-yellow liquid form and defined molecular weight of 206.71 g/mol ensure consistent performance in reactions. Ideal for nucleophilic substitution, esterification, and polymerization studies, this compound is rigorously tested for purity (typically ≥95% by GC or HPLC) and stored under controlled conditions to maintain stability. Available in quantities from milligrams to kilograms, it is packaged in amber glass vials or sealed containers to prevent degradation.

Properties

• CAS Number: 105484-55-7
• Complexity: 126
• IUPAC Name: ethyl 8-chlorooctanoate
• InChI: InChI=1S/C10H19ClO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
• InChI Key: HNHPPZMCJLFGRP-UHFFFAOYSA-N
• Exact Mass: 206.1073575
• Molecular Formula: C10H19ClO2
• Molecular Weight: 206.71
• SMILES: CCOC(=O)CCCCCCCCl
• Topological: 26.3
• Monoisotopic Mass: 206.1073575
• Synonyms: Ethyl 8-chlorooctanoate, 105484-55-7, Octanoic acid, 8-chloro-, ethyl ester, DTXSID90462996, DTXCID20413815, 600-658-4, 8-Chloro-octanoic acid ethyl ester, 8-CHLOROOCTANOIC ACID ETHYL ESTER, SCHEMBL1363140, AKOS015850593, AC-37230

Application

Ethyl 8-chlorooctanoate serves as a key intermediate in organic synthesis, particularly in the preparation of longer-chain fatty acid derivatives and specialty polymers. Researchers employ it in the development of prodrugs or bioactive molecules due to its reactive chloro and ester functional groups. It is also used in material science for modifying surface properties or creating cross-linked networks. Its compatibility with Grignard reactions and catalytic coupling makes it valuable for tailored molecular architectures.

Safety and Hazards

GHS Hazard Statements

• H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Aquatic Chronic 3 (100%)

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