ACETALDEHYDE DI-ISOBUTYLACETAL

CAS: 5669-09-0 FLAVORING AGENT OR ADJUVANT

ACETALDEHYDE DI-ISOBUTYLACETAL is a chemical compound used primarily as a flavouring agent or adjuvant in food products. It is documented in food additive inventories and has been evaluated by international expert committees for safety when used at typical dietary exposure levels.

What It Is

ACETALDEHYDE DI-ISOBUTYLACETAL is an organic chemical compound identified by the CAS number 5669-09-0 and the PubChem CID 79753. It belongs to the class of acetal compounds, specifically the diisobutyl acetal of acetaldehyde, and functions as a flavouring agent or adjuvant in various food applications. In chemical terms, it is an acetal, which means it is derived from the reaction of an aldehyde with alcohols, forming a relatively stable ether-like structure. This compound has several other names and synonyms, reflecting its chemical structure, including derivatives of ethylidene and isobutoxy groups, which are commonly encountered in flavour chemistry and industrial chemistry contexts. Its inclusion in food ingredient inventories such as the U.S. Food and Drug Administration (FDA) Substances Added to Food list indicates that it is recognized within regulatory frameworks for use as a flavouring component in food formulations. In the context of food science, ACETALDEHYDE DI-ISOBUTYLACETAL is categorized under flavouring agents, which are substances added to foods primarily to impart or enhance taste and aroma. Flavouring agents can be naturally occurring or synthetically produced, and in this case, the compound is a synthetic acetal designed to provide specific sensory qualities in finished food products. The structure of this molecule, containing an acetal functional group linking two isobutyl chains, contributes to its volatility and sensory characteristics, making it suitable for use where particular flavour profiles are desired. The compound’s inclusion in inventories like FDA’s Substances Added to Food also supports industry use in formulation and labeling contexts where regulatory recognition is necessary for compliant product development. Beyond its role as a technical flavouring agent, the chemical identity of ACETALDEHYDE DI-ISOBUTYLACETAL is also important for safety and regulatory assessment. The CAS registry number 5669-09-0 provides a unique identifier that is used internationally to reference this specific chemical substance across regulatory databases and scientific literature, ensuring clarity in safety evaluations, inventory listings, and labeling requirements. The structural identifiers, such as InChI and InChIKey, further support accurate chemical database linkage and facilitate research into properties, metabolism, and toxicological data where available.

How It Is Made

The production of ACETALDEHYDE DI-ISOBUTYLACETAL is commonly described in chemical industry resources as involving the acetalization of acetaldehyde with isobutyl alcohol or related precursors under controlled chemical synthesis conditions. In general terms, acetal formation involves an aldehyde reacting with alcohols in the presence of acid catalysts, leading to a stable acetal product after removal of water. This synthetic process is typical for many acetal flavouring agents, where the reaction conditions are adjusted to optimize yield and purity of the desired acetal product. Industrial producers of flavouring compounds often follow established organic synthesis routes that allow for scalable manufacture while controlling byproducts and ensuring product consistency. In laboratory or controlled industrial settings, acetaldehyde and isobutyl alcohol derivatives are combined to drive the formation of the diisobutyl acetal structure. The reaction typically involves an acid catalyst, such as a mineral acid or a suitable Lewis acid, and careful control of temperature and reaction time. After the reaction is complete, the product mixture is subjected to purification steps, including distillation and solvent removal, to isolate ACETALDEHYDE DI-ISOBUTYLACETAL at a desired purity level appropriate for flavour use. These purification steps are critical to remove residual starting materials, catalysts, and other impurities that could affect flavour quality or safety. Because of the compound’s intended use in food, manufacturing controls often follow good manufacturing practice (GMP) principles to ensure consistent quality and compliance with regulatory expectations. Specifications for this compound, such as those found in international additive specification databases, include identity tests and purity criteria that help confirm the composition of the final product. These specifications are used by producers and regulators to verify that the material of commerce corresponds to the characterized flavouring agent and meets established criteria for identity and composition. While the specific chemical literature detailing the industrial synthesis may vary, the general route of aldehyde-alcohol acetalization remains the foundational process for producing ACETALDEHYDE DI-ISOBUTYLACETAL. This method is typical for acetal compounds used in flavour and fragrance applications, where the balance between volatility, stability, and organoleptic properties must be carefully managed through synthesis and purification. In practice, manufacturers engaged in producing chemical flavouring agents operate under chemical process controls that ensure the safety and consistency of their output. These controls include monitoring reaction conditions, implementing analytical testing of intermediates and finished products, and adhering to environmental and occupational safety regulations relevant to chemical manufacturing. As a result, the final ACETALDEHYDE DI-ISOBUTYLACETAL supplied to flavour houses and food formulators is a standardized material with documented chemical properties and expected performance as a flavouring component.

Why It Is Used In Food

ACETALDEHYDE DI-ISOBUTYLACETAL is used in food primarily because of its ability to contribute desirable sensory qualities, notably in flavour profiles where specific aromatic characteristics are needed. Flavouring agents like this compound are incorporated into formulations to enhance, modify, or complement the natural tastes and aromas of food products. In the context of flavour chemistry, acetals often provide subtle fruity, sweet, or complex notes that can improve overall sensory perception. This compound’s molecular structure, with isobutyl groups linked by an acetal functional unit, imparts volatility and aromatic potential that are valuable in flavour design. Food formulators use flavouring agents for several reasons, including masking undesirable off-notes, reinforcing characteristic flavours, and achieving consistency in products that might otherwise vary due to natural ingredient differences. ACETALDEHYDE DI-ISOBUTYLACETAL may be selected in specific applications because its sensory impact aligns with the desired flavour concept, whether that be enhancing fruit nuances or contributing to the layered complexity of a beverage, confection, or dairy product. The ability of such compounds to be effective at low use levels also makes them economically advantageous in food formulation, allowing manufacturers to achieve targeted flavour effects without introducing large quantities of additive. Another practical reason for the use of this compound is its compatibility with other ingredients and processing conditions. Flavouring agents need to maintain stability during mixing, thermal processing, storage, and shelf life of finished products. While the behaviour of any specific flavour compound can vary with pH, temperature, and formulation matrix, acetals are generally known for a balance of functional stability and sensory impact that supports their inclusion in a range of food categories. ACETALDEHYDE DI-ISOBUTYLACETAL’s inclusion in inventories such as the FDA Substances Added to Food list reflects that it is accepted for use within regulatory frameworks when applied appropriately in food formulations. The decision to use a flavouring agent like ACETALDEHYDE DI-ISOBUTYLACETAL is typically informed by sensory evaluation, formulation expertise, and regulatory compliance considerations. Food scientists and flavourists assess candidate compounds for their organoleptic contribution, interactions with other ingredients, and regulatory status in target markets. When a compound like ACETALDEHYDE DI-ISOBUTYLACETAL meets these criteria and aligns with product goals, it becomes part of the palette of flavouring tools available to product developers. This compound’s use as a flavouring agent or adjuvant reflects its functional role in shaping the sensory experience of foods rather than providing nutritional value or preservative effects.

Adi Example Calculation

An illustrative example of how acceptable daily intake (ADI) concepts are applied can help clarify how expert committees assess safety. Although ACETALDEHYDE DI-ISOBUTYLACETAL does not have a specific numeric ADI value assigned by JECFA, the general risk assessment approach involves comparing estimated dietary exposures to safety thresholds derived from toxicological data when available. For example, if a hypothetical flavouring compound had a NOAEL of 100 mg/kg body weight per day identified in animal studies, a safety factor of 100 might be applied to account for interspecies and intraspecies differences, resulting in an ADI of 1 mg/kg body weight per day. For a person weighing 70 kg, this would translate to an ADI of 70 mg per day. Such calculations are illustrative of how regulators contextualize safety data relative to human body weight and intake patterns. In the case of flavouring agents like ACETALDEHYDE DI-ISOBUTYLACETAL, estimated dietary exposures from typical use levels are often orders of magnitude lower than conservative safety thresholds. When exposure estimates are well below concern levels identified through toxicological data or threshold of toxicological concern (TTC) approaches, expert committees may conclude that there is no safety concern at current intake levels. This does not imply that consumers are expected to reach an ADI limit but rather that the compound’s use at current levels in food products results in exposures that are not expected to pose health risks. It is also important to note that safety evaluations incorporate uncertainty factors to ensure protection of sensitive populations and account for data limitations. These conservative adjustments help ensure that even if there are gaps in the toxicological database, the established ADI or safety conclusion remains protective of public health. While specific numeric examples are helpful for understanding the concept, the conclusion for ACETALDEHYDE DI-ISOBUTYLACETAL is based on expert judgment that current exposure patterns are unlikely to approach levels associated with adverse effects.

Safety And Health Research

Safety and health research related to ACETALDEHYDE DI-ISOBUTYLACETAL focuses on evaluating potential hazards relative to estimated dietary exposure levels encountered when the compound is used as a flavouring agent. Regulatory expert committees such as the Joint FAO/WHO Expert Committee on Food Additives (JECFA) assess available toxicological information and exposure estimates to determine whether a substance poses safety concerns under typical use conditions. For ACETALDEHYDE DI-ISOBUTYLACETAL, JECFA’s evaluation indicates that, at current levels of intake from flavour applications, there is no safety concern. This conclusion is based on expert review of available data, including chemical identity, metabolism considerations, and exposure assessments, and reflects the committee’s mandate to protect public health by ensuring that food additives are used within safe limits. It is important to understand that safety evaluations integrate multiple lines of evidence, such as studies on metabolism, genotoxicity, subchronic toxicity, and chronic exposure when available. For many flavouring substances, including acetals, the data set may not include extensive long-term toxicity studies, and safety assessments often rely on structural analogies, known metabolic pathways, and conservative exposure estimates. ACETALDEHYDE DI-ISOBUTYLACETAL is expected to be metabolized in the body through pathways typical of small acetal compounds, which can include hydrolysis to corresponding alcohols and aldehydes that are further metabolized by common enzymatic systems. These metabolic processes and estimated exposures are key components of safety evaluations. In addition to JECFA evaluations, other scientific assessments such as those conducted by the European Food Safety Authority (EFSA) consider groups of structurally related flavouring substances. Group evaluations classify substances based on chemical structure and potential metabolic products, applying threshold of toxicological concern (TTC) approaches and other risk assessment methods to determine whether additional data are required or whether the compound is unlikely to pose safety concerns at typical intake levels. While EFSA may not issue specific numerical ADI values for every individual compound in these groups, the overall approach supports regulatory decisions that balance potential hazards with expected exposure. It should be noted that toxicological research for many flavouring agents is ongoing, and safety assessments can evolve over time as new data become available. The conclusion that there is no safety concern at current levels of intake reflects the current state of evidence and regulatory review, acknowledging that typical exposure from food use remains low compared to levels of concern identified in toxicological data. As with all food additives, continued monitoring of scientific research, exposure patterns, and regulatory evaluations is essential to ensure ongoing protection of consumer health.

Regulatory Status Worldwide

The regulatory status of ACETALDEHYDE DI-ISOBUTYLACETAL varies across jurisdictions, but it is recognized within key regulatory inventories that inform food additive use globally. In the United States, this compound appears in the U.S. Food and Drug Administration (FDA) Substances Added to Food inventory, a database that lists chemical substances that can be used safely in food when consistent with good manufacturing practice and applicable regulatory requirements. The inclusion in this inventory indicates recognition by the FDA, but specific numeric regulatory criteria such as Code of Federal Regulations sections are not provided on the database page. As a result, ACETALDEHYDE DI-ISOBUTYLACETAL’s presence in the FDA inventory supports its lawful use as a flavouring agent in food products within the U.S. regulatory framework when industry practices align with safety expectations and labeling requirements. Internationally, the Joint FAO/WHO Expert Committee on Food Additives (JECFA) has evaluated ACETALDEHYDE DI-ISOBUTYLACETAL as part of its reviews of flavouring agents. According to summaries of JECFA evaluations, this compound has been assessed for safety in the context of typical dietary exposure from flavour use. The conclusion documented in the JECFA database states that there is no safety concern at current levels of intake when used as a flavouring agent, reflecting the Committee’s review of available data and exposure estimates. JECFA evaluations do not always establish specific acceptable daily intake (ADI) values for flavouring substances when exposure estimates are below concern thresholds, and in this case, the summary emphasizes the absence of safety concerns at existing use levels rather than defining a numeric ADI. In the European Union, flavouring substances including acetals of various structures have been considered within Flavouring Group Evaluations conducted by the European Food Safety Authority (EFSA). These group evaluations assess classes of structurally related compounds for safety under estimated intake scenarios and inform EU regulatory decisions. While specific EFSA opinions may not always list individual ADI values for each compound, the evaluation context provides a scientific basis for considering the safety of acetals like ACETALDEHYDE DI-ISOBUTYLACETAL under regulatory frameworks that govern flavouring use in the EU. EFSA’s general guidance on flavourings outlines the procedures used to assess safety based on estimated exposures and toxicological data. Globally, other regulatory agencies may reference JECFA or regional evaluations when establishing their own frameworks for additive use. The documentation from authoritative sources such as FDA and JECFA provides a basis for industry and regulators to align on safety expectations, exposure assessment practices, and labeling considerations. Manufacturers and formulators seeking to use ACETALDEHYDE DI-ISOBUTYLACETAL in products intended for multiple markets often consult these regulatory evaluations to ensure compliance with local requirements.

Taste And Functional Properties

ACETALDEHYDE DI-ISOBUTYLACETAL contributes sensory notes that are typical of acetals, which can include subtle fruity, sweet, or complex aromatic nuances. The specific taste and aroma profile of this compound in food applications is determined by its molecular structure, where the acetal linkage and isobutyl side chains influence volatility and interaction with olfactory receptors. Sensory specialists often describe acetal compounds as imparting light, ethereal, or nuanced aromatic qualities that can enhance overall flavour complexity when used in combination with other flavouring agents. Because of these properties, ACETALDEHYDE DI-ISOBUTYLACETAL may be selected to support certain sensory objectives in food products. Functionally, flavouring agents like this compound must demonstrate adequate performance in the context of a product’s matrix and processing conditions. For instance, in beverage applications, volatility and solubility can affect how a flavour compound is perceived in aroma and taste. While specific solubility and stability data for ACETALDEHYDE DI-ISOBUTYLACETAL in different media may vary, generic acetal compounds are often chosen for their balanced performance, retaining sensory impact without excessive degradation under typical food processing conditions. The presence of isobutyl groups may also influence how the compound interacts with fats, oils, and other components in complex food systems. In practice, food scientists evaluate the functional properties of flavouring agents through sensory panels, instrumental analysis, and stability testing. These assessments help determine appropriate use levels that achieve the desired flavour profile without overpowering other sensory attributes. Because ACETALDEHYDE DI-ISOBUTYLACETAL is effective at relatively low concentrations, formulators can fine-tune its contribution to complement base flavours and other added components. Functional properties such as volatility, perception threshold, and compatibility with other ingredients are central to selecting any flavouring compound. It is also important to recognize that the sensory effect of a flavour compound in isolation can differ from its behaviour in a complete food product. Factors such as temperature, pH, fat content, and the presence of natural flavours influence how a compound like ACETALDEHYDE DI-ISOBUTYLACETAL is perceived. As a result, product developers integrate this compound into broader flavour systems, considering how it harmonizes with other ingredients to achieve a balanced sensory experience. This approach underscores the role of flavouring agents not just as isolated contributors but as elements within a carefully engineered flavour architecture.

Acceptable Daily Intake Explained

An acceptable daily intake (ADI) is a scientific concept used by regulatory and expert bodies to describe a level of daily exposure to a food additive that is considered safe over a lifetime without appreciable health risk. ADIs are typically expressed in milligrams of additive per kilogram of body weight per day and are derived from toxicological studies that identify a no-observed-adverse-effect level (NOAEL) or a benchmark dose in experimental animals, followed by application of safety factors to account for uncertainties in extrapolating to humans. However, not all food additives receive a specific numerical ADI value. In cases where estimated exposures from typical use levels are very low and below thresholds of toxicological concern, expert committees may conclude that there is no safety concern at current intake levels without defining a numeric ADI. For ACETALDEHYDE DI-ISOBUTYLACETAL, the Joint FAO/WHO Expert Committee on Food Additives (JECFA) has evaluated the compound in the context of its use as a flavouring agent. Instead of establishing a quantitative ADI, JECFA’s conclusion is that there is no safety concern at current levels of intake when used as a flavouring agent. This type of conclusion reflects a risk assessment paradigm where the expected dietary exposure is sufficiently low relative to potential hazard levels that a traditional numeric ADI is not needed for regulatory reassurance. Such outcomes are common for flavouring substances with low use levels and extensive metabolic pathways that lead to innocuous metabolites. It is important for consumers and stakeholders to understand that an ADI is not a recommended intake level but rather a conservative safety benchmark. When regulatory bodies state that a compound poses no safety concern at current intake levels, they are expressing confidence that typical consumption in foods will not result in exposures approaching levels associated with toxicological effects. This assessment accounts for normal use patterns in food products and considers variability in consumption among different population groups. In practical terms, stating that there is no safety concern at current intake levels implies that the compound has been reviewed in the context of realistic food use scenarios, and the evidence supports its safe use within established food additive frameworks. Regulatory decisions based on such evaluations help ensure that food flavourings and other additives contribute to food quality and sensory appeal without compromising public health.

Comparison With Similar Additives

Flavouring agents used in food products encompass a wide range of chemical structures, including esters, aldehydes, acetals, and other volatile compounds. Comparing ACETALDEHYDE DI-ISOBUTYLACETAL with other acetal flavouring agents can help illustrate functional and safety considerations that guide formulation choices. For example, acetaldehyde diethyl acetal is another acetal compound used in flavour applications, often contributing fruity or sweet aromatic notes. Like ACETALDEHYDE DI-ISOBUTYLACETAL, acetaldehyde diethyl acetal has structural features that influence volatility and sensory perception, and both compounds are evaluated for safety based on typical dietary exposure and metabolism patterns. The differences in alkyl chain length between the ethyl and isobutyl groups affect sensory qualities and volatility, leading flavourists to choose specific acetals based on desired aroma profiles. Another class of flavouring agents with functional similarities are fruit esters such as ethyl butyrate or isoamyl acetate, which impart characteristic fruity notes in beverages, confectionery, and dairy products. While esters and acetals differ chemically, both categories serve similar purposes in enhancing flavour complexity. Esters are often more familiar to consumers as contributors to sweet, fruity aromas, whereas acetals may offer more subtle or layered sensory effects. Flavor formulators consider how these compounds interact within a blend, balancing intensity, volatility, and compatibility with other ingredients. Synthetically derived lactones are another group of flavour compounds that exhibit distinct sensory properties, such as creamy or coconut-like notes in certain products. While lactones have a different functional group compared to acetals, the selection of either type depends on the target flavour profile and product matrix. For instance, a beverage requiring bright fruit notes may benefit from esters and acetals, whereas a dairy dessert product might integrate lactones for richer sensory attributes. Safety evaluation approaches for these flavouring agents also share common elements. Expert committees like JECFA and EFSA assess groups of structurally related compounds based on metabolism, estimated intake, and toxicological data. When typical exposure is low relative to concern thresholds, regulatory bodies may conclude that there is no safety concern at current intake levels, as with ACETALDEHYDE DI-ISOBUTYLACETAL. This framework allows regulators and industry to manage a wide array of flavouring substances with varying structures while maintaining consumer safety.

Common Food Applications Narrative

ACETALDEHYDE DI-ISOBUTYLACETAL is used as a flavouring agent in a variety of consumer-oriented food products where nuanced sensory characteristics are desired to enhance overall taste and aroma profiles. In ready-to-drink beverages such as soft drinks, fruit-flavored waters, and other non-alcoholic refreshments, this compound can be part of flavour blends that deliver subtle aromatic notes. Beverage formulators often employ a combination of volatile flavouring substances to achieve a balanced beverage aroma that aligns with consumer expectations. In such applications, ACETALDEHYDE DI-ISOBUTYLACETAL contributes to the complexity and depth of the overall flavour without dominating the primary fruit or herbaceous notes. In baked goods including cookies, cakes, and pastries, flavouring agents like ACETALDEHYDE DI-ISOBUTYLACETAL are used to enrich sensory profiles. These products often rely on a suite of flavour compounds that work synergistically to produce appealing aromatic and taste characteristics. The subtle fruity or sweet aromatic qualities of ACETALDEHYDE DI-ISOBUTYLACETAL may complement other flavorants and the natural caramelization products formed during baking, enhancing the perception of richness and complexity in the final product. Confectionery items, such as candies, gums, and fillings, also benefit from carefully crafted flavour blends. In these products, the volatility and sensory contribution of compounds like ACETALDEHYDE DI-ISOBUTYLACETAL can help sustain flavour perception over time, contributing to consumer satisfaction. Because confectionery often involves high sugar content and other dominant taste elements, flavouring agents must be selected for their ability to emerge perceptibly within a dense sensory background. The compound’s nuanced notes can help round out flavour profiles, especially in fruit, cream, or dessert-inspired confections. Other food categories where this flavouring agent might be employed include dairy products such as flavored milks and ice creams, where a layered sensory profile is advantageous. In such products, the interaction between flavouring compounds and dairy matrices requires careful formulation work to achieve a harmonious sensory outcome. Similarly, sauces and dressings that incorporate flavouring systems may use this compound as part of a broader flavour strategy to enhance aromatic appeal. The flexibility of ACETALDEHYDE DI-ISOBUTYLACETAL in diverse matrices reflects its utility to flavourists and food developers. Overall, the common applications of ACETALDEHYDE DI-ISOBUTYLACETAL in consumer food products center on its ability to complement and enhance flavour complexity. Whether in beverages, baked goods, confectionery, dairy, or other categories, this compound supports sensory design goals by adding depth and nuance to overall flavour systems. Its use in these applications is informed by sensory science, regulatory compliance, and formulation expertise, aligning with product objectives and consumer preferences.

Safety & Regulations

FDA

  • Notes: Recognized in FDA Substances Added to Food inventory without specific CFR numeric citation.
  • Approved: True

EFSA

  • Notes: No specific EFSA numeric ADI provided in available authoritative sources.

JECFA

  • Notes: JECFA summary indicates safety at current intake but does not provide numeric ADI or year in deep link.
  • Adi Display: No safety concern at current levels of intake when used as flavouring agent as concluded by JECFA.

Sources

Comments

No comments yet. Be the first to share!