N-BUTYL 2-METHYLBUTYRATE

CAS: 15706-73-7 FLAVORING AGENT OR ADJUVANT

N-BUTYL 2-METHYLBUTYRATE (CAS 15706-73-7) is a synthetic ester used primarily as a flavoring agent or adjuvant with a fruity aroma and is evaluated internationally by expert committees for safety in food use.

What It Is

N-BUTYL 2-METHYLBUTYRATE is an organic chemical classified as a flavoring agent or adjuvant that belongs to the class of esters formed from the esterification of 2-methylbutyric acid and butanol. It is recognized under the CAS registry number 15706-73-7 and is used in various flavor formulations due to its characteristic fruity and tropical sensory profile. The compound has several synonymous names that reflect its chemical identity and structure, including butyl 2-methylbutyrate and butanoic acid, 2-methyl-, butyl ester, which help professionals and regulators link diverse literature and specifications to the same substance. In regulatory contexts and ingredient listings, N-BUTYL 2-METHYLBUTYRATE is frequently identified by its Chemical Abstracts Service (CAS) number rather than its common name, ensuring precise reference across international safety databases and food additive inventories. It is grouped with other flavoring agents that contribute specific sensory impressions to food products without providing nutritional value. Flavoring agents like this are typically used at low concentrations, intended to enhance or modify the sensory experience rather than act as a primary flavor component by themselves. From a chemical perspective, this ester is relatively simple, comprising a nine-carbon backbone and yielding a clear, colorless to pale-yellow liquid under typical conditions. Its molecular structure lends itself to volatility and olfactory activity, making it appealing in product applications where aroma and taste quality are important. As a result, it often appears in flavor formulations designed to evoke fruit-like characteristics. Its classification as a flavoring agent or adjuvant reflects both its primary function and its supporting role in complex ingredient systems.

How It Is Made

The production of N-BUTYL 2-METHYLBUTYRATE generally involves a classic esterification reaction between 2-methylbutyric acid and n-butanol under acid catalysis. This reaction type is widespread in organic chemistry for synthesizing esters, which are commonly encountered in both natural products and industrial applications. In an industrial setting, the acid and alcohol react in the presence of a catalyst, such as sulfuric acid or an ion exchange resin, under controlled heat to drive the equilibrium toward the formation of the desired ester with water as a by-product. After synthesis, the crude product typically undergoes purification processes, which may include distillation and washing steps to remove residual reactants and catalysts. The resulting purified ester is characterized by analytical methods such as refractive index measurement, density determination, and chromatographic purity assessment to confirm it meets specified criteria for use in flavor applications. The purity of flavoring-grade material is important, as impurities at significant levels can alter the sensory profile or raise regulatory concerns. Although technical details of proprietary manufacturing processes vary between producers, the core chemistry remains rooted in established esterification principles. Manufacturers also implement quality control and documentation practices that align with food-grade ingredient standards, ensuring that the material is suitable for use in formulations that may ultimately be consumed by people. Because flavoring agents are typically used in tiny amounts relative to other food components, highly specific manufacturing controls are balanced with the need to produce material efficiently and reliably. In the context of global trade and compliance, producers of N-BUTYL 2-METHYLBUTYRATE often reference established specifications and safety evaluations conducted by expert bodies. These specifications outline acceptable analytical limits for specific physical properties and impurity profiles. By adhering to these guidelines, manufacturers help ensure that their product aligns with international expectations for quality and consistency, even when specific numeric safety limits are not explicitly mandated in every regulatory jurisdiction.

Why It Is Used In Food

N-BUTYL 2-METHYLBUTYRATE is used in food primarily because of its sensory impact as a flavoring agent. Flavoring agents are added to food and beverage formulations to provide or modify taste and aroma characteristics that are desirable to consumers. In this case, the ester contributes fruit-like, tropical notes that can enhance the overall sensory complexity of a product, helping to create appealing flavor profiles without contributing significant caloric content. Such agents are especially valuable in products where natural flavor intensity may be limited or where specific sensory experiences are engineered to meet consumer expectations. Because this compound is highly potent on a per-unit basis, only small amounts are typically needed to achieve the desired effect. This allows formulators to fine-tune flavor without substantially altering other aspects of the product or its formulation cost. The use of such flavoring agents is widespread in the flavor and fragrance industry, where specialized compounds are blended in creative combinations to evoke specific taste impressions, ranging from simple fruit notes to complex layered aromas that mimic natural flavors. In many processed foods and beverages, the natural raw materials alone may not provide sufficient flavor intensity, consistency, or stability over the product’s shelf life. Flavoring agents like N-BUTYL 2-METHYLBUTYRATE support product consistency by delivering defined sensory characteristics that are reproducible across production batches. This consistency is crucial for brand reliability and consumer satisfaction. Additionally, because this type of additive can be used at low effective levels, it generally does not contribute materially to the nutrient profile or texture of the product. Finally, this compound’s role as an adjuvant underscores that it often works synergistically with other flavoring components. Alone it offers a specific sensory note; in blends, it can round out or support more complex profiles, balancing sweetness, acidity, or other flavor dimensions. This blending capacity expands the palette available to food scientists and flavorists, enabling them to craft nuanced sensory experiences that meet diverse consumer tastes.

Adi Example Calculation

To illustrate the concept of an Acceptable Daily Intake (ADI) in general terms, consider a hypothetical compound for which an expert committee has established an ADI of X milligrams per kilogram of body weight per day. For an adult who weighs 70 kilograms, a simple calculation multiplies the ADI by body weight to estimate the maximum amount that could theoretically be consumed daily without appreciable risk. For example, if the ADI were 5 milligrams per kilogram per day, the calculation would be 5 multiplied by 70, which equals 350 milligrams per day for that individual’s body weight. This illustrative example demonstrates how an ADI relates to body weight and how exposure estimates can be contextualized. In the case of N-BUTYL 2-METHYLBUTYRATE, expert evaluations have concluded that typical exposure from use as a flavoring agent does not raise safety concerns at normal use levels, and there is no specific numeric ADI established in publicly accessible regulatory documents. As a result, the illustrative calculation above is not directly applicable to this compound. Instead, the example serves to explain how the ADI framework would be applied if numerical values were determined and published by regulatory authorities based on toxicological data and exposure assessments. Such calculations are often part of regulatory risk assessments to help risk managers and consumers understand the relative magnitude of acceptable exposures compared to real-world usage. It’s important to emphasize that an ADI is a conservative estimate meant to be protective of public health, incorporating safety factors to account for variability across populations. The absence of an explicit numeric ADI for this flavoring agent reflects a conclusion that its use at typical levels does not warrant a quantified intake limit rather than indicating a lack of safety consideration. Ultimately, ADI concepts help frame how regulatory bodies think about exposure and risk, ensuring that substances added to food do not contribute to harmful effects when consumed as intended. Illustrative calculations like the one above are helpful for understanding the general application of ADIs in risk assessment contexts.

Safety And Health Research

Safety and health research related to flavoring agents like N-BUTYL 2-METHYLBUTYRATE focuses on understanding potential toxicological endpoints, exposure scenarios, and the margin between typical dietary exposure and levels associated with adverse effects in experimental systems. Expert panels such as JECFA integrate available data from toxicology studies, metabolic information, and use-level data to assess whether typical consumption patterns pose safety concerns. According to expert summaries, the evaluation of this compound did not reveal safety concerns at current intake estimates within its functional use category, suggesting that the available evidence supports its safe use as a flavoring agent when used appropriately in formulations. Research in this area often includes examination of general toxicity, potential for genotoxicity, reproductive and developmental toxicity, and other endpoints that may be relevant for long-term consumption. The absence of specific numeric regulatory values such as an Acceptable Daily Intake (ADI) for every flavoring agent reflects the context of relatively low exposure compared to thresholds of toxicological concern. In this framework, chemicals that demonstrate no adverse effects at levels far exceeding expected exposure may not require a defined numeric ADI, and expert committees may instead conclude that there is no safety concern at typical intake levels. It is important to distinguish between flavoring agents evaluated for potential safety concerns and substances used at much higher levels or with documented toxicological risks that necessitate explicit intake limits. In the case of N-BUTYL 2-METHYLBUTYRATE, available assessments suggest that routine use in food products does not raise health concerns when incorporated at levels typical of flavor use. However, the scientific understanding of human exposure patterns and individual susceptibility continues to evolve, and ongoing monitoring of usage data and toxicological literature contributes to updated evaluations by expert bodies. Overall, the safety and health research context for this compound aligns with the broader field of flavor chemistry, where the focus is on ensuring that sensory enhancement does not compromise consumer safety. Expert committee evaluations and specification listings serve as primary references for formulation scientists and regulatory professionals seeking to balance sensory function with established safety frameworks.

Regulatory Status Worldwide

N-BUTYL 2-METHYLBUTYRATE has been evaluated by international expert bodies that assess the safety of flavoring agents and food additives. The Joint FAO/WHO Expert Committee on Food Additives (JECFA) has reviewed this compound and assigned it a specific evaluation number in its food additives database. According to the Committee’s evaluations summarized in international specification listings, the compound is recognized within flavoring specifications and assessed for safety in the context of typical use levels as a flavoring agent or adjuvant. The evaluation indicates that there are no safety concerns at current estimated levels of intake for this substance within its intended functional use in food formulations, reflecting expert judgment based on available toxicological and usage data. In the United States, ingredients used for flavoring purposes are documented in inventories of substances used in food, such as the FDA’s Substance Added to Food inventory, which references trade association determinations related to generally recognized as safe (GRAS) flavoring substances. However, specific regulatory code sections authorizing or defining maximum use levels for N-BUTYL 2-METHYLBUTYRATE by CFR citation are not directly indicated in public federal regulations, so explicit numeric allowances or procedural allowances are not d here. In other jurisdictions, similar evaluation frameworks exist, and international flavor specification databases maintained by organizations such as the Food and Agriculture Organization support consistent global references to flavoring agent identities and quality specifications. While specific numeric limits, such as Acceptable Daily Intakes, are not always established for flavoring agents that are assessed to pose no safety concern at typical use levels, expert evaluations provide context for ingredient acceptance in food-grade applications. Regulatory status worldwide reflects a combination of expert committee evaluations and functional listings in food additive and flavoring inventories rather than enumerated maximum use levels in each jurisdiction’s statutory texts. This approach is consistent with the way many flavoring agents are assessed when their safety data support use at low levels typical of sensory applications.

Taste And Functional Properties

N-BUTYL 2-METHYLBUTYRATE is appreciated in flavor chemistry for its characteristic fruity and tropical sensory profile, which can evoke notes reminiscent of ripe fruit and sweet nuances in complex flavor blends. Esters, in general, are known for their aromatic properties, and this specific compound’s structure imparts volatility that makes it readily perceivable by the olfactory system. When used at appropriate levels in formulations, it enhances perceived sweetness or fruitiness without adding caloric sweetness itself, complementing other flavor ingredients to achieve a balanced final product. Functionally, the compound’s solubility characteristics influence how it behaves in different formulation contexts. Like many esters, it is more soluble in organic media and moderately dispersible in aqueous systems, which means formulators consider solvent systems, emulsifiers, and other excipients when incorporating it into beverages, confectionery, or dairy analog products. Understanding these properties helps ensure that the flavoring agent is well distributed and stable in the final formulation. In terms of stability, N-BUTYL 2-METHYLBUTYRATE generally exhibits typical ester behavior; it is relatively stable under normal processing conditions but may hydrolyze under extreme pH or prolonged heat exposure. This means that product developers consider processing steps such as heating or fermentation when selecting and dosing this ingredient to avoid sensory degradation or off-notes. Likewise, packaging and storage conditions can influence the long-term integrity of the flavor profile, as volatility and interactions with light, oxygen, or other components may affect performance over time. Overall, the sensory and functional attributes of N-BUTYL 2-METHYLBUTYRATE make it a useful component in the food flavorist’s toolkit, particularly for applications that benefit from concentrated fruit-like aroma and taste impressions. Its inclusion is guided by both its impact on flavor perception and practical considerations related to formulation matrix compatibility and sensory stability.

Acceptable Daily Intake Explained

The concept of Acceptable Daily Intake (ADI) is used by regulatory and expert bodies to express an amount of a substance that can be consumed daily over a lifetime without appreciable health risk. For many flavoring agents, including N-BUTYL 2-METHYLBUTYRATE, expert evaluations focus on the safety of typical use levels rather than establishing a numeric ADI when the available toxicological data indicate no concern at exposure levels expected from normal consumption patterns. In such cases, authorities may characterize the substance as safe under its intended conditions of use without defining a specific numeric ADI. The ADI framework typically incorporates safety factors to account for uncertainties in extrapolating data from animal studies to humans and to protect sensitive individuals. When an expert committee concludes there is no safety concern at normal use levels, it effectively means that the anticipated intake from food products is well below any threshold associated with harmful effects in tested models. This approach recognizes the difference between substances intentionally incorporated into diets at high concentrations and those like flavoring agents, which are used at very low levels. It is important to understand that an ADI is not a recommended dietary target or a threshold that consumers aim to reach. Instead, it represents a conservative estimate intended to ensure safety across populations. In the context of N-BUTYL 2-METHYLBUTYRATE, the absence of an explicit numerical ADI in regulatory texts does not imply a lack of safety evaluation. Rather, it reflects expert judgment that the compound’s estimated exposures at intended use levels do not raise safety concerns that would require a formal numeric limit. This regulatory nuance underscores how ADIs function as part of a broader safety assessment framework. Flavoring agents that have been thoroughly evaluated and deemed safe at typical consumption levels can be confidently used in food products, contributing to sensory quality without compromising consumer safety. The expert evaluation process balances evidence from toxicology, exposure assessments, and chemical characterization to arrive at conclusions that guide regulatory acceptance and usage standards.

Comparison With Similar Additives

N-BUTYL 2-METHYLBUTYRATE can be compared with other ester-type flavoring agents that are widely used in the food industry due to their aromatic contributions. Like many simple esters, it shares sensory characteristics with compounds such as ethyl butyrate, which conveys pineapple-like notes, and isoamyl acetate, known for its banana-like aroma. These esters are structurally similar in that they combine a carboxylic acid moiety with an alcohol-derived group, and their sensory profiles depend on the carbon chain length and branching. N-BUTYL 2-METHYLBUTYRATE’s branched-chain structure contributes to its unique fruity-tropical note distinct from the specific fruit associations of the other esters mentioned. Functionally, all these esters are employed at low concentrations in flavor formulations because even small amounts can significantly influence perceived aroma and taste. Ethyl butyrate’s association with bright, citrusy impressions makes it valuable in fruit beverages, while isoamyl acetate’s banana characteristic suits confectionery and dessert flavors. In contrast, N-BUTYL 2-METHYLBUTYRATE’s sensory impact is leveraged where a broader tropical or complex fruit-like note is desired. Formulators often blend multiple esters strategically to achieve layered flavor impressions that mimic natural fruit complexity. From a regulatory standpoint, the flavoring agents mentioned are often evaluated within the same general safety frameworks, where expert committees assess their use at typical levels and document safety profiles. Many ester-type flavoring agents have no safety concerns at normal use levels, leading to inclusion in inventories of authorized flavoring substances without numeric limits imposed for most applications. This similarity in regulatory treatment reflects the low exposure levels associated with flavor use compared with other classes of food additives used at higher functional doses. In summary, comparing N-BUTYL 2-METHYLBUTYRATE with other ester flavoring agents highlights both shared functional roles in enhancing sensory profiles and differences in specific odor characteristics that influence where each compound is most effectively used. Understanding these similarities and differences helps flavorists and product developers choose the right combination of agents to achieve desired sensory experiences while aligning with regulatory safety frameworks and industry norms.

Common Food Applications Narrative

N-BUTYL 2-METHYLBUTYRATE finds application across a wide range of food categories where flavor enhancement plays a central role in consumer satisfaction. In beverage formulations, it may be included in fruit-flavored soft drinks, sparkling waters, or flavored teas to elevate fruit-like sensory notes that contribute to a refreshing and appealing taste profile. Its volatile aromatic nature helps convey complexity in the taste experience without overpowering other desirable sensory attributes. In confectionery products, such as chewy candies, gummies, and flavored sweets, the compound can support the desired fruit character, complementing sugar or sweetener systems to create vibrant, layered flavor impressions. Because esters like this can be perceived at low concentrations, formulators carefully calibrate doses to achieve balance and avoid unintended dominance of any singular note. Similarly, in dairy analog products, such as plant-based yogurts or flavored milks, it can help mask processing-related off-notes and reinforce the intended fruit or dessert-inspired flavors. Bakery items and snack foods also benefit from the controlled use of flavoring agents like N-BUTYL 2-METHYLBUTYRATE. In these applications, it can provide accentuation of fruit or sweet character without introducing significant moisture or changing textural properties. Its integration into flavor blends for frostings, fillings, and sweet toppings supports consistent sensory outcomes across production runs, which is important for maintaining consumer trust. Because flavoring agents are used at low effective levels relative to the bulk ingredients, their presence typically does not influence nutritional labeling significantly. Instead, they play a supporting role in shaping how consumers perceive the product. The versatile sensory attributes of this ester make it suitable for inclusion in multi-component flavor systems where complementing or enhancing complex taste profiles is desired. Across categories, its use aligns with broader formulation goals that prioritize sensory appeal, consistency, and compatibility with diverse product matrices.

Safety & Regulations

FDA

  • Notes: Specific CFR approval status not verified from authoritative FDA regulation deep links.

EFSA

  • Notes: EFSA numerical ADI not identified in available authoritative sources.

JECFA

  • Notes: Exact numeric ADI and year not explicitly listed in the accessible JECFA specification detail deep link.
  • Adi Display: No safety concern at typical use levels as evaluated by expert committees.

Sources

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