Propyl chloroacetate
[CAS# 5396-24-7]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: Propyl chloroacetate
• Synonyms: propyl 2-chloroacetate
• Molecular Formula: C₅H₉ClO₂
• Molecular Weight: 136.58
• CAS Registry Number: 5396-24-7
• EC Number: 226-411-7
• SMILES: CCCOC(=O)CCl

Safety Data

• Hazard Symbols: GHS05;GHS07 Danger
• Hazard Statements: H302-H315-H318-H335
• Precautionary Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P354+P338-P317-P319-P321-P330-P332+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302
Skin irritation	Skin Irrit.	2	H315
Serious eye damage	Eye Dam.	1	H318

Discovory and Applicatios

Propyl chloroacetate is a chemical compound that plays a significant role in organic synthesis and industrial applications. Its structure, characterized by a chloroacetate group attached to a propyl chain, makes it a valuable intermediate in the production of various chemical products.

The discovery of propyl chloroacetate can be traced back to the early 20th century, when researchers began exploring the reactivity and utility of chloroacetate esters. This compound is synthesized through the esterification of chloroacetic acid with propyl alcohol, a reaction that involves the formation of an ester bond between the chloroacetate and propyl groups.

In organic synthesis, propyl chloroacetate is used as a key intermediate for the production of other chemical compounds. Its reactivity is attributed to the presence of the chloro group, which can participate in nucleophilic substitution reactions. This property makes propyl chloroacetate a valuable building block for the synthesis of various pharmaceuticals and agrochemicals. For instance, it is used in the preparation of propyl esters of carboxylic acids, which are important in the manufacture of specialty chemicals and fragrances.

One of the primary applications of propyl chloroacetate is in the synthesis of pharmaceuticals. It is employed as a reagent in the production of drugs and drug intermediates due to its ability to introduce the chloroacetate group into organic molecules. This application is particularly relevant in the development of medications that require specific chemical modifications for enhanced efficacy or stability.

In addition to its role in pharmaceuticals, propyl chloroacetate is utilized in the agrochemical industry. It is used in the synthesis of various pesticides and herbicides, where its reactivity allows for the incorporation of the chloroacetate group into active ingredients. This application is crucial for the development of effective agrochemical products that can improve crop yields and pest control.

Propyl chloroacetate also finds use in the production of flavoring agents and fragrances. The compound's ester group contributes to its potential as a precursor for the synthesis of esters that are used in the flavor and fragrance industry. Its ability to react with other compounds to form esters makes it a versatile intermediate for creating a range of aromatic and flavorful substances.

Overall, propyl chloroacetate is a valuable chemical compound with diverse applications in organic synthesis, pharmaceuticals, agrochemicals, and the flavor and fragrance industry. Its reactivity and ability to participate in esterification reactions make it a key building block for the production of various chemical products.