BUTAN-3-ONE-2-YL BUTANOATE

CAS: 84642-61-5 FLAVORING AGENT OR ADJUVANT

BUTAN-3-ONE-2-YL BUTANOATE is an organic ester used as a flavoring agent in foods and beverages. It has been evaluated by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) with no safety concern at typical intake levels when used as a flavoring substance. It is listed in flavoring inventories such as the FDA’s Substances Added to Food (formerly EAFUS) under FEMA number 3332 with functional use as a flavoring agent. The compound appears as a cream‑like, buttery flavor component in formulations.

What It Is

BUTAN-3-ONE-2-YL BUTANOATE is a synthetic organic compound belonging to the class of esters, specifically an ester of butanoic acid and an oxopropyl alcohol derivative. Chemically, it is identified by CAS number 84642-61-5 and is recognized in flavor and fragrance registries such as the Flavor and Extract Manufacturers Association (FEMA) database under FEMA number 3332 as a flavoring agent. Esters such as BUTAN-3-ONE-2-YL BUTANOATE are common in flavor chemistry because they often contribute fruity, creamy, or buttery notes to food and beverage formulations. The molecule’s structure consists of a butanoate moiety linked to a 3‑oxobutan‑2‑yl group, conferring characteristic sensory properties that make it useful in flavor applications. In regulatory and technical inventories, BUTAN-3-ONE-2-YL BUTANOATE sits within a larger family of flavoring substances that are evaluated for safety and functionality. It is typically used at low concentration levels in finished products to impart or enhance desirable sensory characteristics. The presence of multiple alternative names, such as ACETOYL BUTYRATE and 1‑METHYL‑2‑OXOPROPYL BUTANOATE, reflects its identification across different chemical and regulatory contexts in food science and industry. Because esters are volatile and interact with olfactory receptors readily, they are valued in the design of flavor profiles where creamy, buttery, or complex fruity notes are desired. The classification “FLAVORING AGENT OR ADJUVANT” indicates that its primary role is to improve or modify the organoleptic properties of food and beverage products rather than to provide nutritional or textural benefits. The identity of BUTAN-3-ONE-2-YL BUTANOATE is confirmed through a combination of chemical registry information and flavoring databases. For example, JECFA documentation identifies the compound within a list of evaluated flavor substances, noting both its structural names and functional class. Additionally, industry catalogs describe organoleptic properties such as creamy or buttery notes typical of this compound’s sensory contribution. This broad base of descriptive and registry information situates BUTAN-3-ONE-2-YL BUTANOATE as a recognized flavoring ingredient in food formulation contexts, subject to evaluation by authorities concerned with food additive safety and quality.

How It Is Made

The production of BUTAN-3-ONE-2-YL BUTANOATE reflects general principles of ester synthesis widely used in the flavor and fragrance industry. At a foundational level, esters are formed by condensation reactions between carboxylic acids and alcohols under conditions that promote dehydration and ester bond formation. In the case of BUTAN-3-ONE-2-YL BUTANOATE, the ester linkage is constructed by reacting butanoic acid (also known as butyric acid) with a 3‑oxobutan‑2‑ol derivative in the presence of an acid catalyst. This type of reaction, commonly referred to as Fischer esterification, removes a molecule of water as bond formation proceeds, yielding the ester product. Industrial manufacture of food flavors typically occurs in controlled facilities where reactants are combined in the presence of catalysts such as sulfuric acid or other suitable acid catalysts at elevated temperatures. Reaction parameters such as temperature, catalyst concentration, and reaction time are optimized to favor ester formation while minimizing side reactions and byproducts. Following the esterification step, the crude reaction mixture undergoes purification processes such as distillation to separate the desired ester from unreacted starting materials and other volatile components. High purity is essential because impurities can affect both safety and sensory characteristics. Finished BUTAN-3-ONE-2-YL BUTANOATE intended for flavor use often meets Food Chemical Codex (FCC) or similar quality standards that prescribe limits on impurities and define analytical parameters such as refractive index and density. Quality control in the manufacture of flavoring agents involves analytical verification of identity and purity using techniques such as gas chromatography and mass spectrometry. These instrumental methods confirm that the product conforms to specifications appropriate for use in food and beverage applications. Additionally, documentation of production processes, certificates of analysis, and regulatory compliance data support the product’s suitability for food use. While specific proprietary methods and process optimizations may vary among manufacturers, the general esterification and purification approach is consistent across the industry for producing high‑quality flavor esters. The existence of multiple synonyms and registry identifiers in flavor inventories underscores the standardized nature of the compound’s production and characterization across suppliers and regulatory sources.

Why It Is Used In Food

The primary reason BUTAN-3-ONE-2-YL BUTANOATE is used in food and beverage products is its capacity to contribute specific desirable sensory characteristics. Flavor esters are a cornerstone of flavor technology because they can evoke fruity, creamy, buttery, or complex aromatic notes that enhance or balance product profiles. In formulations where a creamy or buttery nuance is needed—such as dairy analogs, baked goods, confectionery, or beverage emulsions—this compound can serve as part of a flavor blend that achieves the target sensory effect. Its volatility and molecular structure allow it to interact effectively with olfactory receptors, making it valuable even at low usage levels. Formulators select flavoring agents based on compatibility with other ingredients, stability under processing conditions, and the specific sensory outcome desired. Esters like BUTAN-3-ONE-2-YL BUTANOATE are chosen because they can impart complexity without overwhelming other flavor notes. For example, in dairy flavor systems, a subtle buttery or creamy note can round off harsher edges or provide depth that consumers associate with richness. In fruit‑flavored products, esters may be blended with other fruit esters and aldehydes to create balanced profiles that mimic natural fruit aroma. The use of such compounds is often informed by sensory science and consumer testing that identifies the precise contributions individual flavor components make to overall acceptability. Beyond sensory impact, flavoring agents also support product development goals such as differentiating a product in a crowded market, achieving a specific sensory signature for branding, or compensating for sensory losses due to processing or ingredient substitution. In reduced‑fat or plant‑based formulations where natural flavor intensity may be lower, esters and other flavoring agents help achieve a fuller and more satisfying taste experience. The careful formulation ensures that functional food properties, shelf stability, and consumer expectations are all considered alongside regulatory allowances and safety assessments. Thus, the use of BUTAN-3-ONE-2-YL BUTANOATE in food applications reflects both its sensory utility and its acceptance within flavoring inventories for food use.

Adi Example Calculation

To illustrate the concept of an acceptable intake range in a practical way, consider a hypothetical scenario where a flavoring agent has a conservative benchmark of exposure derived from expert assessment. Suppose a flavoring compound is used in a beverage at a concentration of X milligrams per liter and an individual consumes one liter of that beverage per day. By comparing the estimated intake (X mg/day) to a reference intake threshold derived from expert evaluation (for example, an ADI expressed in mg per kg of body weight), one can assess whether typical use falls well below conservative safety boundaries. In this simplified hypothetical scenario, if the reference intake threshold were Y mg per kg of body weight per day, a 70‑kg individual’s benchmark would be Y times 70. It is important to emphasize that this example is illustrative; it does not provide a real numeric ADI for BUTAN-3-ONE-2-YL BUTANOATE because expert evaluations for this compound did not assign a numeric ADI but rather concluded no safety concern at current intake levels. Therefore, the focus of the example is on understanding how intake estimations are compared to safety thresholds in general terms. Such calculations help regulatory scientists and food technologists estimate margins of exposure and ensure that the sum of intake from all sources remains safely below levels associated with toxicological effects. Consumer exposure to flavoring agents is usually a small fraction of such conservative benchmarks, reflecting both low usage levels in products and the broad safety margins applied in risk assessments.

Safety And Health Research

The safety assessment of food flavoring agents like BUTAN-3-ONE-2-YL BUTANOATE involves evaluation of toxicological data, metabolic fate, and exposure estimates. Expert committees such as the Joint FAO/WHO Expert Committee on Food Additives (JECFA) review available studies and reports on metabolites, acute toxicity, and available chronic data to reach conclusions about safety at typical levels of intake. For this compound, the JECFA evaluation concluded that there is no safety concern at current levels of intake when used as a flavoring agent, indicating that the available dataset and experience with similar substances did not identify hazards that would preclude its use in food applications. Such conclusions typically derive from assessments of chemical structure, expected metabolic pathways, and comparisons to related esters, along with any available experimental data on systemic toxicity. Flavoring agents are generally used at very low concentrations in finished food products, so consumer exposure is limited relative to other dietary components. JECFA’s conclusion about safety at current intake levels suggests that exposure to BUTAN-3-ONE-2-YL BUTANOATE through typical food use is not expected to approach levels that would trigger toxicological concern based on existing data. It should be noted that the absence of specific adverse effects in expert evaluations does not imply absence of all possible effects at high doses; rather, it indicates that under conditions of intended use, supported by flavor industry experience and exposure estimates, the compound is not associated with identified safety risks within the range of plausible intake. Scientific literature on specific health effects of individual flavor esters is often limited, and safety evaluations focus on general classes of compounds and structural analogs. In the absence of extensive human clinical data or dedicated long‑term studies for every individual compound, expert committees rely on weight‑of‑evidence approaches that integrate chemical‑specific information with broader toxicological principles. This means that while flavor esters like BUTAN-3-ONE-2-YL BUTANOATE are assumed to be safe when used as intended, ongoing monitoring of emerging scientific data and post‑market experience remains important. Manufacturers also generate and maintain safety data and analytical documentation to support regulatory compliance and ensure product quality. Overall, the safety research landscape for flavoring agents emphasizes structured expert review and conservative exposure assessment rather than extensive intervention studies.

Regulatory Status Worldwide

The regulatory status of BUTAN-3-ONE-2-YL BUTANOATE encompasses evaluations by international expert committees and listings in flavoring substance inventories. One of the primary international evaluations comes from the Joint FAO/WHO Expert Committee on Food Additives (JECFA), which reviewed this compound in the context of flavoring substances. According to JECFA’s evaluation, the use of BUTAN-3-ONE-2-YL BUTANOATE as a flavoring agent does not raise safety concerns at typical levels of intake encountered in representative food uses. This evaluation is documented in the WHO JECFA database entry for chemical number 4179 and includes references to specific expert committee reports summarizing the findings and safety conclusions. Such evaluations underpin international recognition of the compound’s safety when used appropriately in food formulations. In the United States, the FDA maintains the Substances Added to Food inventory (formerly EAFUS) which includes flavoring substances that have been evaluated by FEMA panels and may be used in food and beverage products. BUTAN-3-ONE-2-YL BUTANOATE appears in this inventory with functional use as a flavoring agent, reflecting its recognition in the flavor industry and its consideration by regulatory stakeholders. However, inclusion in the inventory does not equate to an explicit FDA regulation under a specific CFR section; it indicates that the compound is part of the broader set of flavoring substances that are not specifically listed with individual regulatory limits but are nonetheless considered in context of general safety evaluations. Because no precise numerical limits or CFR citations are provided in this context, the regulatory status in the United States is interpreted as acceptance based on expert evaluation rather than a prescriptive list of allowable concentrations for specific product categories. In other jurisdictions, similar approaches prevail where flavoring agents are evaluated collectively based on safety data, metabolic considerations, and historical use patterns. For example, Codex Alimentarius and regional food authorities recognize lists of flavoring substances with documented safety assessments. Regulatory frameworks in the European Union and other regions rely on evaluations such as those provided by JECFA and FEMA, supplemented by regional assessments and flavoring inventories. While specific E‑number designations or numeric limits may not be assigned to every flavoring ester, the compound’s inclusion in recognized expert evaluations supports its use under general flavoring provisions. Manufacturers and formulators are responsible for ensuring that finished products comply with local labeling and regulatory requirements, which may vary across markets.

Taste And Functional Properties

BUTAN-3-ONE-2-YL BUTANOATE exhibits sensory characteristics typical of many ester compounds used in flavor applications, contributing creamy, buttery, or subtly fruity notes to flavor systems. Its organoleptic profile is described by suppliers and flavor registries as imparting nuanced sensory qualities that complement other components in complex flavor blends. These properties make it useful in applications where delicate balance of aroma and taste is needed, such as dairy‑type flavors, confections, and beverage formulations. The ester’s inherent volatility is an asset in flavor delivery, as it contributes to aroma perception without requiring high concentration levels in the final product. From a functional perspective, the sensory impact of this compound is influenced by its physicochemical behavior. Esters like BUTAN-3-ONE-2-YL BUTANOATE typically have moderate solubility in ethanol and lipid phases while showing limited solubility in water, which affects how they partition in different food matrices. This partitioning behavior helps determine how flavor is perceived during consumption, since aroma release is often influenced by the interaction of volatile compounds with fats and other non‑aqueous phases. The compound’s refractive index and density are analytical descriptors used by quality control laboratories to verify identity and purity in production lots, but they also correlate with how the molecule behaves in solution. Stability under processing conditions is another factor that influences functional performance. Although esters can be susceptible to hydrolysis under extreme pH or heat, typical food processing conditions such as moderate baking temperatures or pasteurization do not significantly degrade the compound when properly formulated. This stability supports consistent sensory outcomes across production batches. Additionally, the compound’s compatibility with other flavor ingredients allows it to be blended without undesired chemical reactions or sensory interactions that might detract from the target profile. Taken together, the sensory qualities, volatility, and functional stability of BUTAN-3-ONE-2-YL BUTANOATE underpin its role as a flavoring agent that enhances consumer perception of taste and aroma in diverse applications.

Acceptable Daily Intake Explained

An Acceptable Daily Intake (ADI) is a concept used by food safety authorities to express the amount of a substance that can be consumed daily over a lifetime without appreciable health risk. ADIs are usually derived by identifying a no‑observed‑adverse‑effect level (NOAEL) from animal or human studies and applying safety factors to account for uncertainties in extrapolation to humans and sensitive populations. For many flavoring agents, including compounds like BUTAN-3-ONE-2-YL BUTANOATE, expert committees such as the Joint FAO/WHO Expert Committee on Food Additives (JECFA) may conclude that at current levels of intake there is no safety concern rather than assign a numeric ADI. This type of conclusion reflects the low exposure typically associated with flavor use and the absence of identified toxicological hazards within that exposure range. When an expert body states “no safety concern at current levels of intake,” it implies that typical consumption patterns for foods containing the flavoring agent do not approach levels that would trigger biological effects based on available data. It does not mean that the compound is recommended at any particular dose; rather, it acknowledges that consumer exposure from its use in foods is sufficiently low and well within conservative safety margins. In practical terms, this type of conclusion supports the continued use of the compound as a flavoring agent in accordance with good manufacturing practice and established flavoring inventories. Manufacturers consider such expert opinions when designing formulations to ensure that cumulative exposure from multiple sources remains within safe boundaries. Understanding ADIs and safety conclusions helps consumers and formulators interpret regulatory evaluations. Rather than suggesting a specific target intake, statements of no safety concern indicate that expert reviewers have considered the compound’s chemical properties, expected metabolism, and exposure estimates to determine that routine dietary exposure through flavor use does not pose identified risks. This conservative approach protects population health while allowing flavor innovation and diversity in food products.

Comparison With Similar Additives

Flavor esters are a diverse class of compounds commonly used to impart or enhance sensory characteristics in food systems. Butanoate esters in particular, such as ethyl butyrate and methyl butyrate, share structural features with BUTAN-3-ONE-2-YL BUTANOATE but differ in the alcohol moiety part of the molecule. Ethyl butyrate, for example, is known for its fruity, pineapple‑like aroma and is widely used in fruit‑flavored beverages and confectionery to evoke bright, fruity notes. In contrast, BUTAN-3-ONE-2-YL BUTANOATE is often associated with creamier or buttery nuances, making it suitable for dairy‑type flavors or cream accentuation. Methyl butyrate, another simple ester, tends to present lighter, more ethereal fruity notes that are useful in citrus or tropical flavor blends. Compared with these simpler esters, BUTAN-3-ONE-2-YL BUTANOATE’s more complex structure can contribute depth and balance in blends where fruity notes need to be supported with creaminess or richness. Another classmate, pentyl butyrate, has a pear‑like aroma and finds niche use in specific fruit flavor formulations. When formulating flavor systems, food scientists consider how each ester’s sensory profile interacts with others, selecting combinations that achieve the desired overall aroma and taste. The functional behavior of these esters in different food matrices also varies. For instance, solubility and volatility influence how readily a compound is released during consumption and how it interacts with fats and other non‑aqueous components. Esters with higher volatility may contribute more significantly to aroma perception, while those with greater lipid solubility may enhance flavor persistence. By comparing BUTAN-3-ONE-2-YL BUTANOATE with other butyrate esters, formulators can tailor flavor profiles to specific product needs, whether targeting bright fruity notes, smooth creaminess, or balanced aromatic complexity. Understanding these comparative sensory and functional attributes enables precise flavor design across a wide range of food and beverage applications.

Common Food Applications Narrative

In modern food and beverage formulation, flavoring agents play a central role in crafting products that meet consumer expectations for taste, aroma, and overall sensory appeal. BUTAN-3-ONE-2-YL BUTANOATE, as an ester with creamy or buttery sensory notes, fits into a variety of applications where such characteristics are desirable. For example, in dairy‑based beverages or products that aim to evoke a rich mouthfeel, including cream sodas, flavored milks, or yogurt drinks, small amounts of this compound may be incorporated as part of a broader flavor strategy. These products rely on a harmony of volatile compounds to recreate natural sensory experiences that consumers associate with freshness and richness. Confectionery products such as candies, toffees, and chocolate confections also benefit from carefully balanced flavor systems. In these matrices, BUTAN-3-ONE-2-YL BUTANOATE might be used in concert with other esters, aldehydes, and lactones to build layers of complexity—softening sharp sugar notes with creamy undertones or enhancing fruit‑centered fillings with depth. The compound’s sensory contribution is subtle but important in achieving flavor profiles that resonate with target demographics. Similarly, in baked goods such as cookies, pastries, and sweet breads, flavor esters help compensate for sensory changes that occur during baking, where heat can diminish or alter key aroma and taste compounds. The beverage sector also utilizes flavor esters in soft drinks, flavored waters, and ready‑to‑drink tea or coffee products, particularly when a creamy or smooth character is part of the flavor concept. In these liquid products, the volatility of the ester contributes to aroma delivery during consumption, reinforcing the product’s identity on first sip. Beyond sweet applications, savory snack seasonings and sauces may incorporate ester‑based flavorings in small amounts to round out complex sensory profiles. Because consumer preferences increasingly lean toward multidimensional taste experiences, formulating with compounds such as BUTAN-3-ONE-2-YL BUTANOATE allows food scientists to meet these expectations while maintaining control over cost, process stability, and regulatory compliance. In each of these contexts, the compound’s role is not as a primary flavor but as an enhancer that supports broader sensory goals in finished products.

Safety & Regulations

FDA

  • Notes: Included in FDA Substances Added to Food inventory with FEMA evaluation but no specific CFR citation available.

EFSA

  • Notes: No specific EFSA E number or numeric ADI available from authoritative evaluations.

JECFA

  • Notes: JECFA concluded no safety concern at typical intake without assigning a numeric ADI.
  • Adi Display: No safety concern at current intake levels when used as a flavouring agent

Sources

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