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Allyl acetoacetate, also known as allyl 3-oxobutanoate, is an organic compound used in various chemical applications.
Allyl acetoacetate is an organic compound that is the simplest member of the acetic acid esters.
Allyl acetoacetate can be synthesized by reacting allyl alcohol with hydrochloric acid and a particle.
CAS Number: 1118-84-9
Molecular Formula:C7H10O3
Molecular Weight: 142.15
EINECS Number: 214-269-9
Synonyms: Allyl acetoacetate, 1118-84-9, Allyl 3-oxobutanoate, Allylacetoacetate, (2-Propenyl) 3-oxobutanoate, Allyl acetylacetate, Acetoacetic acid, allyl ester, Butanoic acid, 3-oxo-, 2-propenyl ester, prop-2-en-1-yl 3-oxobutanoate, prop-2-enyl 3-oxobutanoate, Acetoacetic Acid Allyl Ester, (2-Propenyl)3-oxobutanoate, 8HX066J62P, NSC-24280, 2-propenyl acetoacetate, UNII-8HX066J62P, AI3-04977, allyl aceto-acetate, EINECS 214-269-9, Allyl 3-oxobutanoate #, Allyl acetoacetate, 97%, Allyl acetoacetate, 98%, EC 214-269-9, SCHEMBL9513, Acetylacetic acid, allyl ester, 3-oxo-butyric acid allyl ester, DTXSID40149740, BCP12037, NSC24280, BBL011433, MFCD00009811, NSC 24280, STL146541, AKOS000120505, CS-W018294, VS-02949, DB-003129, NS00001809, EN300-20951, E75749, J-002655, J-519551, Q27270546, F0001-0255
Allyl acetoacetate is a clear colorless liquid.
Allyl acetoacetate has been shown to have cytotoxic effects on cardiac tissues, as well as certain reactive properties, which maacetoacetate's ability to form cross-links with proteins.
Allyl acetoacetate is registered under the REACH Regulation but is not currently being manufactured in and / or imported to the Economic Area.
Allyl acetoacetate is an adhesion promoter.
Allyl acetoacetate is available in colorless to pale yellow colored liquid form.
Allyl acetoacetate is recommended for coatings.
Allyl acetoacetate holds significant importance as an organic compound widely utilized in chemical synthesis and scientific exp.
As a colorless liquid with a potent fragrance, Allyl acetoacetate effortlessly dissolves in various organic solvents.
Allyl acetoacetate's versatility in the synthesis of numerous compounds makes Allyl acetoacetate a valuable asset.
Moreover, Allyl acetoacetate plays a role in the creation of polymers, dyes, and catalysts.
Fascinatingly, Allyl acetoacetate finds application in the synthesis of essential biochemicals, such as vitamins, hormones, and in scientific research, particularly in organic synthesis, Allyl acetoacetate is highly regarded and employed.
The reaction involving allyl alcohol and acetic anhydride in the presence of a catalyst results in Allyl acetoacetate as one of the products, along with acetic acid.
For this reaction, an inert atmosphere and a temperature of around 100°C are typically maintained.
The outcome of this process serves as a pivotal intermediate for a diverse range of compounds, making Allyl acetoacetate an component in various scientific and industrial endeavors.
Allyl acetoacetate is used in formulation or re-packing.
Allyl acetoacetate is an adhesion promoter.
Allyl acetoacetate is available in colorless to pale yellow colored liquid form.
Allyl acetoacetate is recommended for coatings.
Allyl acetoacetate is commonly used as an intermediate in the synthesis of more complex organic compounds.
Allyl acetoacetate's reactive ester and ketone groups allow for a variety of chemical reactions, making it valuable in the production of pharmaceuticals and agrochemicals.
Allyl acetoacetate acts as a monomer or comonomer in the creation of specialized polymers and copolymers, contributing properties such as flexibility, durability, and chemical resistance.
Due to its pleasant odor, Allyl acetoacetate is sometimes used in the formulation of flavors and fragrances, although this is less common than its use in industrial chemical synthesis.
The production of Allyl acetoacetate involves the esterification of acetoacetic acid with allyl alcohol.
This process typically requires an acid catalyst to facilitate the reaction. Here is an overview of the general production method.
Allyl acetoacetate by Shanghai Deborn is an adhesion promoter.
Allyl acetoacetate is available in colorless to pale yellow colored liquid form.
Allyl acetoacetate is recommended for coatings.
Allyl Acetoacetate is an organic compound that is the simplest member of the acetic acid esters.
Allyl acetoacetate can be synthesized by reacting allyl alcohol with hydrochloric acid and a particle.
Allyl Acetoacetate has been shown to have cytotoxic effects on cardiac tissues, as well as certain reactive properties, which may be due to its ability to form cross-links with proteins.
Allyl acetoacetate is also used as a cross-linking agent for polyvinyl chloride plastics.
Allyl acetoacetate is used as a reagent in organic synthesis for creating more complex molecules.
Serves as a nucleophile in Michael addition reactions, useful in forming carbon-carbon bonds.
Allyl acetoacetate is used in the synthesis of pharmaceutical compounds and in drug discovery.
Employed in the production of flavor compounds and fragrances due to its fruity aroma.
Used in polymerization processes to create specialty polymers with desired properties.
Serves as an intermediate in the synthesis of agrochemicals, including pesticides and herbicides.
Allyl acetoacetate utilized in the formulation of resins and other materials for various industrial applications.
Allyl acetoacetate is a versatile compound with applications in organic synthesis, pharmaceuticals, flavors, and materials science.
It’s an important intermediate in chemical processes and contributes to the creation of various products across different industries.
Proper safety measures should be followed to handle it effectively.
Allyl acetoacetate can undergo nucleophilic addition reactions due to the presence of the carbonyl group.
This makes it useful in various organic synthesis reactions.
Allyl acetoacetate can react with alcohols in a transesterification process to form esters.
Allyl acetoacetate can participate in radical polymerization reactions, forming polymers used in various industrial applications.
Allyl acetoacetate can be used in cyclization reactions to form cyclic compounds, which are useful in creating complex organic molecules.
Allyl acetoacetate is used in the synthesis of various pharmaceuticals, including anti-inflammatory agents and antibiotics.
Its reactivity and functional groups make it a valuable intermediate in drug development.
Allyl acetoacetate is used to create flavor compounds with fruity and sweet notes, enhancing the sensory qualities of food and beverages.
Allyl acetoacetate is also used in perfumes and cosmetics to impart a pleasant aroma.
Allyl acetoacetate is employed in the synthesis of certain pesticides and herbicides, contributing to agricultural productivity and pest control.
Allyl acetoacetate is used in the formulation of specialty resins and polymers, including those with enhanced chemical resistance, flexibility, or strength.
Allyl acetoacetate can be used as an intermediate in the synthesis of various dyes and pigments, influencing color properties and application performance.
Allyl acetoacetate serves as a versatile reagent in organic synthesis, facilitating the formation of various functional groups and complex structures.
Ensure good ventilation in areas where allyl acetoacetate is used to prevent the accumulation of vapors.
Wear appropriate protective equipment, including gloves, safety glasses, and lab coats, to avoid contact with the skin and eyes.
Store in a tightly sealed container to prevent evaporation and contamination.
Allyl acetoacetate keep in a cool, dry place, away from sources of heat and light to maintain stability.
Avoid storing with strong oxidizing agents or other incompatible materials.
Allyl acetoacetate is biodegradable, but care should be taken to manage spills and prevent environmental contamination.
While generally low in toxicity, large quantities should be avoided in aquatic environments to prevent potential harm to marine life.
Move to fresh air. Seek medical attention if symptoms persist or worsen.
Wash affected area with soap and water. Remove contaminated clothing.
Allyl acetoacetate rinse eyes with plenty of water for at least 15 minutes.
Allyl acetoacetate rinse mouth with water.
Allyl acetoacetate use foam, dry chemical, or carbon dioxide to extinguish fires involving allyl acetoacetate.
Follow all relevant regulations and guidelines for handling, storage, and disposal as specified by local and international chemical safety authorities.
Always refer to the Safety Data Sheet (SDS) provided by the manufacturer or supplier for detailed safety, handling, and emergency response information.
Melting point: -70 °C
Boiling point: 194-195 °C737 mm Hg(lit.)
Density 1.037 g/mL at 25 °C(lit.)
vapor pressure: 0.2 hPa (20 °C)
refractive index: n20/D 1.439(lit.)
Flash point: 75 °C
storage temp.: Sealed in dry,2-8°C
solubility: 48g/l
pka: 10.53±0.46(Predicted)
formclear: liquid
color: Colorless to Light yellow to Light orange
PH: 3.7 (48g/l, H2O, 20℃)
explosive limit 1.15%(V)
Water Solubility: 50 g/L (20 ºC)
Sensitive: Air Sensitive
BRN: 1758569
Log: P0.146 at 27℃
Allyl acetoacetate is used to synthesize β-dicarbonyl compounds through various condensation reactions, which are crucial in organic synthesis and the development of complex molecules.
Allyl acetoacetate plays a role in the total synthesis of natural products, including complex alkaloids and terpenes, due to its ability to form various structural motifs.
Allyl acetoacetate is used in the development of novel pharmacophores and bioactive molecules.
Its reactivity makes it a valuable tool in creating compounds with potential therapeutic effects.
Allyl acetoacetate is employed as a substrate in catalytic reactions, including asymmetric synthesis and organocatalysis, aiding in the production of chiral compounds.
Allyl acetoacetate is used in the modification of functional groups in organic molecules, altering their reactivity and properties for specific applications.
Acts as a ligand in coordination chemistry to form metal complexes, which can be used in various catalytic and material science applications.
Allyl acetoacetate can be characterized by Nuclear Magnetic Resonance (NMR) spectroscopy, which provides information on the molecular structure and dynamics.
Infrared (IR) spectroscopy is used to identify functional groups and confirm the presence of carbonyl and ester groups.
Allyl acetoacetate is used for the analysis and purification of allyl acetoacetate due to its volatility.
Employed for separating and analyzing complex mixtures containing allyl acetoacetate.
Provides information on the molecular weight and structure of allyl acetoacetate, assisting in its identification and quantification.
Typically synthesized through esterification reactions involving acetoacetic acid and allyl alcohol.
Process optimization ensures high yield and purity.
Quality control measures include testing for purity, identifying impurities, and ensuring compliance with specifications through analytical techniques.
Proper disposal methods should be followed for waste containing allyl acetoacetate, adhering to local regulations and guidelines to prevent environmental contamination.
Allyl acetoacetate regular monitoring for leaks or spills in industrial settings to prevent environmental contamination.
Use of appropriate treatment methods for waste containing allyl acetoacetate to minimize environmental impact.
Develop and implement spill response plans, including containment, cleanup, and disposal procedures.
Allyl acetoacetate ensure that personnel are trained in handling allyl acetoacetate and emergency response procedures.
Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) compliance may be required for manufacturing and importing in Europe.
Compliance with the Toxic Allyl acetoacetate Control Act (TSCA) in the United States, which involves reporting and regulation of chemical substances.
Ensure proper labeling according to the Globally Harmonized System (GHS) with hazard pictograms and safety instructions.
Maintain accurate records of safety data sheets (SDS), regulatory compliance, and safety practices.
Ongoing research explores new applications of allyl acetoacetate in emerging fields such as green chemistry and sustainable materials.
Collaborations between academic institutions and industry focus on optimizing synthesis methods and discovering new uses.
Allyl acetoacetate can be synthesized by reacting allyl alcohol with hydrochloric acid and a particle.
Allyl acetoacetate has been shown to have cytotoxic effects on cardiac tissues, as well as certain reactive properties, which may be due to Allyl acetoacetate's ability to form cross-links with proteins.
Allyl acetoacetate is also used as a cross-linking agent for polyvinyl chloride plastics.
Allyl acetoacetate is an organic ester with the chemical formula C7H10O3.
Allyl acetoacetate is a colorless to light yellow liquid characterized by its pleasant odor.
Allyl acetoacetate is used primarily as a chemical intermediate in organic synthesis, where Allyl acetoacetate serves as a building block for the production of a variety of complex molecules, including pharmaceuticals, agrochemicals, and specialty polymers.
Allyl acetoacetate is a versatile organic compound with a range of applications in chemical synthesis, polymer production, and occasionally in the flavor and fragrance industry.
Allyl acetoacetate's reactivity and ability to participate in various chemical reactions make it a valuable intermediate in the production of numerous commercially important chemicals.
Allyl acetoacetate is also used as a cross-linking agent for polyvinyl chloride plastics.
Allyl acetoacetate is used in the formulation of pharmaceuticals and as an intermediate for fine chemicals.
Allyl acetoacetate is used in formulation or re-packing.
Release to the environment of Allyl acetoacetate can occur from industrial use: formulation of mixtures.
Moreover, Allyl acetoacetate plays a role in the creation of polymers, dyes, and catalysts.
Fascinatingly, Allyl acetoacetate finds application in the synthesis of essential biochemicals, such as vitamins, hormones, and enzymes.
In scientific research, particularly in organic synthesis, Allyl acetoacetate is highly regarded and employed.
The reaction involving allyl alcohol and acetic anhydride in the presence of a catalyst results in Allyl acetoacetate as one of the primary products, along with acetic acid.
For this reaction, an inert atmosphere and a temperature of around 100°C are typically maintained.
The outcome of this process serves as a pivotal intermediate for a diverse range of compounds, making Allyl acetoacetate an indispensable component in various scientific and industrial endeavors.
Uses:
Allyl acetoacetate is used as a reagent in organic synthesis to form complex molecules.
Michael Addition: Acts as a nucleophile in Michael addition reactions to create carbon-carbon bonds.
Intermediate in the synthesis of pharmaceutical compounds, including antibiotics and anti-inflammatory agents.
Allyl acetoacetate is used in the production of flavor compounds with fruity and sweet notes for food and beverages.
Incorporated into perfumes and cosmetics for its aromatic properties.
Employed in the polymerization process to produce specialty polymers with tailored properties.
Intermediate in the production of certain pesticides and herbicides.
Allyl acetoacetate is used in the formulation of resins and other materials to enhance their properties, such as chemical resistance and flexibility.
Utilized in the synthesis of dyes and pigments, influencing their color properties and application performance.
Involved in the total synthesis of natural products, including complex alkaloids and terpenes.
Allyl acetoacetate is used as a substrate in catalytic reactions, including asymmetric synthesis and organocatalysis, to produce chiral compounds.
Enables modification of functional groups in organic molecules, altering their reactivity and properties.
Acts as a ligand in coordination chemistry to form metal complexes for various applications.
Explored for new applications in emerging fields such as green chemistry and sustainable materials.
Allyl acetoacetate is used in Fischer indole synthesis to produce indole derivatives, which are important in medicinal chemistry.
Participates in various condensation reactions to form β-dicarbonyl compounds and other complex structures.
Serves as an intermediate in the synthesis of herbicides, contributing to weed management in agriculture.
Allyl acetoacetate is used in the formulation of insecticides to protect crops from pest damage.
Research is being conducted on its potential use in environmental chemistry for the removal of pollutants from water and soil.
Employed in the production of specialty coatings and adhesives, providing enhanced performance characteristics.
Allyl acetoacetate is used in the formulation of composite materials with specific mechanical and chemical properties.
Allyl acetoacetate is explored for its role in the development of bioactive molecules that can interact with biological systems.
Investigated for potential applications in drug delivery systems due to its reactivity and ability to form complex structures.
Incorporated into skin care products for its potential benefits in formulations, such as enhancing product stability and efficacy.
Allyl acetoacetate is used as a food additive for flavor enhancement in certain food products, although its primary use is in the production of flavor compounds rather than direct addition.
Employed in chemical research to study reaction mechanisms and develop new synthetic methodologies.
Investigated for use in developing new catalysts for various chemical reactions.
Allyl acetoacetate is used in academic laboratories for teaching organic synthesis and reaction mechanisms, providing practical examples of chemical transformations.
Allyl acetoacetate is used in the custom synthesis of specialty chemicals tailored for specific industrial applications.
Allyl acetoacetate is used in copolymerization with other monomers to create copolymers with specific properties such as increased strength or flexibility.
Functions as a cross-linking agent in the production of thermosetting polymers and resins.
Serves as an intermediate in the manufacture of more complex chemicals used in various industries.
Allyl acetoacetate is used in the bulk production of specialty chemicals, where its reactivity is harnessed to create high-value products.
Investigated for use in the formulation of prodrugs, which are converted into active drugs within the body.
Allyl acetoacetate utilized in studies of metabolic pathways and enzyme mechanisms due to its reactivity with biological molecules.
Explored in green chemistry initiatives for developing more environmentally friendly chemical processes and products.
Allyl acetoacetate is used in research focused on recycling and reusing catalysts in chemical reactions to minimize waste.
Allyl acetoacetate is used as a plasticizer in the production of flexible plastics, improving their elasticity and workability.
Incorporated into formulations as anti-fogging agents for various surfaces, such as lenses and coatings.
Studied for potential use as plant growth regulators to enhance crop yields and improve plant health.
Research into its use as a soil conditioner to improve soil quality and fertility.
Allyl acetoacetate is used in research to optimize reaction conditions and improve the efficiency of chemical processes.
Investigated for its role in scaling up chemical processes from laboratory to industrial scale.
Used in the formulation of industrial cleaning agents due to its ability to dissolve various types of residues and contaminants.
Studied for its impact on the stability and efficacy of cosmetic formulations, contributing to the development of longer-lasting and more effective products.
Allyl acetoacetate is used as a calibration standard in analytical chemistry to ensure accurate and reliable measurements in various analytical techniques.
Explored in the design of chemical reactors and processes to improve reaction efficiency and product yield.
Allyl acetoacetate utilized in studies of enzyme inhibition to understand enzyme mechanisms and develop enzyme inhibitors.
Investigated for its potential use in the production of pigments for artistic and design applications.
Safety Profile:
Allyl acetoacetate is a flammable liquid.
It can catch fire easily when exposed to heat, sparks, or open flames.
The flash point is approximately 26-28°C (78-82°F), indicating that it can form flammable vapors at room temperature.
Can cause irritation or redness upon contact with the skin. Prolonged or repeated exposure may lead to dermatitis.
Can cause severe eye irritation, including redness, pain, and possible damage. Avoid direct contact with eyes.
Inhalation of vapors can cause respiratory tract irritation, leading to coughing, shortness of breath, or a sore throat.
Prolonged or high-level exposure may have harmful effects on the respiratory system.
The acute toxicity of allyl acetoacetate is relatively low, but exposure can still cause symptoms such as nausea, headache, and dizziness.
Allyl acetoacetate repeated or prolonged exposure may result in more serious health effects, including potential damage to organs.
