Compound Profile

Allyl benzoate 

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Allyl benzoate is a chemical compound with various practical applications in daily life. This organic compound is commonly used in the production of flavors and fragrances, making it a key ingredient in perfumes, cosmetics, and food products. Its sweet, fruity scent lends itself well to enhancing the sensory experience of numerous consumer goods. Additionally, allyl benzoate is utilized in the manufacturing of plastics and as a precursor in organic synthesis. Given its versatile nature and widespread use in different industries, allyl benzoate plays a significant role in enhancing the quality and appeal of everyday products.

Table of Contents:

💡  Commercial Applications

Allyl benzoate is commonly used in the fragrance industry as a flavoring agent and odorant due to its pleasant scent reminiscent of jasmine flowers. It is widely utilized in the production of perfumes, incense, air fresheners, and candles. Additionally, Allyl benzoate is employed in the manufacturing of cosmetics, soaps, and other personal care products for its aromatic qualities.

In the industrial sector, Allyl benzoate serves as a key ingredient in the synthesis of polymers and resins. It is utilized as a plasticizer for PVC, enabling flexibility and durability in various plastic products. Furthermore, Allyl benzoate is utilized in the production of adhesives, coatings, and sealants due to its chemical properties that enhance adhesion and coating strength. Its role in these applications contributes to the creation of high-quality and durable products for various industries.

Allyl benzoate has also found application in the field of pharmacy and medicine. It is used as a flavoring agent in medications to mask unpleasant tastes and odors, making the product more palatable for patients. Additionally, Allyl benzoate has been studied for its potential therapeutic benefits, including its antimicrobial properties. Research suggests that Allyl benzoate may possess antibacterial and antifungal properties, making it a promising candidate for use in pharmaceutical formulations targeting infectious diseases.

⚗️  Chemical & Physical Properties

Allyl benzoate is a colorless to pale yellow liquid with a sweet, fruity odor reminiscent of pears or apples.

With a molar mass of 164.20 g/mol and a density of 1.041 g/cm³ at 25°C, allyl benzoate falls within the range of common food items such as sugar (molar mass: 342.3 g/mol, density: 1.59 g/cm³) and olive oil (molar mass: 885.4 g/mol, density: 0.91 g/cm³).

Allyl benzoate has a melting point of -34°C and a boiling point of 195-196°C. In comparison, common food items like butter (melting point: 32-35°C) and water (boiling point: 100°C) exhibit significantly different melting and boiling points.

Allyl benzoate is sparingly soluble in water but miscible in ethanol and ether. It has a low viscosity, similar to that of vegetable oil. In contrast, common food items like salt (soluble in water) and honey (high viscosity) have different solubilities and viscosities.

🏭  Production & Procurement

Allyl benzoate is produced through the esterification of benzoic acid and allyl alcohol in the presence of a suitable acid catalyst, such as sulfuric acid or p-toluenesulfonic acid. This reaction typically takes place in a batch reactor under controlled conditions to ensure high yield and purity of the product.

Allyl benzoate can be procured from chemical manufacturers or suppliers specializing in aroma chemicals and flavor ingredients. Once produced, the compound is typically packaged in drums or containers suitable for transportation and storage. Special care must be taken during transportation to prevent exposure to extreme temperatures or mechanical damage that could compromise the integrity of the product.

To transport Allyl benzoate, it is important to comply with regulations regarding hazardous materials and ensure proper labeling and documentation. Depending on the volume and destination, the compound may be shipped via road, rail, or air freight. It is essential to work with experienced carriers and follow established protocols for handling and transportation to minimize the risk of accidents or spills.

⚠️  Safety Considerations

Safety considerations for Allyl benzoate include its potential to cause skin and eye irritation upon contact. It is important to handle this chemical with care and use appropriate personal protective equipment, such as gloves and eye protection, when working with it. Additionally, Allyl benzoate should be stored in a cool, dry, well-ventilated area away from sources of heat and incompatible materials to prevent accidents or reactions.

The hazard statements for Allyl benzoate include its potential to cause skin and eye irritation, and its flammable nature. This chemical should be kept away from heat, sparks, open flames, and other sources of ignition to prevent fire hazards. In case of skin or eye contact, immediate medical attention should be sought, and contaminated clothing should be removed promptly.

Precautionary statements for Allyl benzoate include measures to prevent skin and eye irritation, as well as fire hazards. It is recommended to wear protective gloves and eye protection when handling this chemical, and to avoid breathing in its vapors. In case of a fire involving Allyl benzoate, use appropriate extinguishing agents and evacuate the area to prevent exposure to hazardous fumes. Additionally, spills should be cleaned up promptly and disposed of properly in accordance with local regulations.

🔬  Potential Research Directions

Potential research directions for Allyl benzoate include its use as a precursor for the synthesis of various organic compounds, particularly in the fragrance and flavor industries. Additionally, further investigation into its potential biological activities and pharmacological properties could provide insights into its potential application in pharmaceuticals.

Studies focusing on the reaction mechanisms and optimization of synthetic routes for Allyl benzoate could lead to the development of improved and more efficient synthetic methodologies. The exploration of its potential as a green solvent or reagent in organic synthesis could also be a fruitful research direction, considering the growing interest in sustainable and environmentally friendly chemical processes.

Furthermore, investigations into the toxicological properties and safety profile of Allyl benzoate could shed light on its potential risks and benefits in different applications. Understanding its stability under various conditions and its compatibility with other chemicals could also be important research areas to explore for maximizing its utility in industrial processes.

One similar compound to Allyl benzoate based upon molecular structure is Cinnamyl benzoate. This compound contains a benzene ring attached to a cinnamyl group, similar to the allyl group found in Allyl benzoate. Cinnamyl benzoate is commonly used in perfumes and other fragrances due to its pleasant aroma.

Another compound with a similar molecular structure to Allyl benzoate is Phenyl benzoate. Like Allyl benzoate, Phenyl benzoate contains a benzene ring attached to a phenyl group, which contributes to its aromatic properties. Phenyl benzoate is often used as a flavoring agent in the food industry.

Benzyl benzoate is another compound that shares a similar structure with Allyl benzoate. In this compound, a benzyl group is attached to a benzoate group, resulting in a similar arrangement of functional groups. Benzyl benzoate is commonly used as a medication for the treatment of scabies and lice due to its insecticidal properties.

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