BUTYL HEPTANOATE

CAS: 5454-28-4 FLAVORING AGENT OR ADJUVANT

BUTYL HEPTANOATE (CAS 5454-28-4) is a synthetic flavoring agent or adjuvant with a fruity, green-apple type odor used to impart or enhance fruit-like flavors in foods when used in compliance with good manufacturing practice.

What It Is

BUTYL HEPTANOATE is a chemical compound belonging to the class of fatty acid esters used as a flavoring agent or adjuvant in food formulations. It is identified by the Chemical Abstracts Service (CAS) Registry Number 5454-28-4, and its technical function is to provide or modify flavor profiles in food products. As an ester, BUTYL HEPTANOATE exhibits characteristic odor and taste properties that contribute to fruity and green sensory attributes in finished foods. In food regulatory inventories such as the United States FDA Substances Added to Food database, BUTYL HEPTANOATE is listed under synthetic flavoring substances and related adjuvants permitted for use in accordance with good manufacturing practice, acknowledging its role as a food flavoring component. The compound’s structure consists of a heptanoate (seven-carbon fatty acid) moiety esterified to a butyl alcohol group, which underpins its sensory characteristics and functional applications in food systems. In the context of flavor chemistry, esters like BUTYL HEPTANOATE are widely recognized for their contribution to fruit-like aroma profiles, and they are often components of complex flavor blends formulated by flavorists. It is important to appreciate that while chemical flavoring agents like BUTYL HEPTANOATE are synthesized for consistency and purity, they mimic organoleptic properties that can also occur naturally in certain fruits and plant-derived ingredients. The classification of BUTYL HEPTANOATE as a flavoring agent or adjuvant reflects its primary use in enhancing or emulating desirable sensory qualities in food products. Because flavoring agents are used at relatively low concentrations, their technical designation emphasizes sensory impact without nutritional contribution. BUTYL HEPTANOATE does not provide caloric benefit or nutritional value in the context of food formulation; rather, its importance lies in its ability to contribute to the overall flavor experience experienced by consumers.

How It Is Made

The production of BUTYL HEPTANOATE involves chemical esterification reactions between heptanoic acid (a saturated fatty acid) and butanol (a four-carbon alcohol). In conventional esterification, the acid and alcohol are heated together in the presence of an acid catalyst, such as sulfuric acid or p-toluenesulfonic acid, to facilitate the removal of water and drive the formation of the ester linkage. The reaction conditions are optimized to favor high yield and to minimize side reactions, followed by purification steps such as distillation to obtain a clear, high-purity liquid suitable for use in flavor applications. This method of esterification is a well-established process in industrial organic chemistry and is commonly used for producing a wide range of aroma and flavor esters. Following synthesis, the crude product may undergo additional purification, such as fractional distillation, to achieve the specifications required for food-grade materials. Regulatory and quality standards for food ingredients typically include criteria for purity, absence of contaminants, and consistent sensory properties, but specific numeric purity requirements for BUTYL HEPTANOATE as a flavoring agent are not detailed in the available regulatory listings. It is important to note that the manufacturing process must comply with applicable safety and environmental regulations to ensure the compound’s quality and suitability for food use. Good manufacturing practices in flavor production include controls on raw material quality, reaction conditions, and final product testing to ensure consistency batch after batch. Because flavorings are active at low concentrations, even trace impurities can influence sensory outcomes, so careful analytical monitoring is a part of the production workflow.

Why It Is Used In Food

BUTYL HEPTANOATE is incorporated into food products primarily for its ability to contribute or modify fruity and green sensory notes, enhancing flavor profiles in a range of formulations. Food manufacturers utilize such ester compounds because they can provide consistent and targeted aroma characteristics that complement or intensify natural flavor profiles. For instance, BUTYL HEPTANOATE may be used in fruit-flavored confections, beverages, baked goods, and other products where a green apple, pear, or similar fruit impression is desirable. The use of flavoring agents like BUTYL HEPTANOATE supports formulation flexibility, allowing developers to fine-tune sensory attributes without relying solely on natural extracts, which may vary in composition due to harvest conditions and source variability. In practice, flavor chemists combine multiple flavor compounds to achieve a balanced and appealing profile, and esters are key contributors because of their generally pleasant and recognizable fruity characteristics. The inclusion of BUTYL HEPTANOATE in flavor blends is guided by sensory evaluation and desired product positioning, ensuring that the final product meets consumer expectations for taste and aroma. Moreover, regulatory frameworks such as the FDA’s listing of synthetic flavoring substances and adjuvants recognize that compounds like BUTYL HEPTANOATE may be safely used in foods when applied in the minimum quantity necessary to achieve the intended effect and in accordance with good manufacturing practice. This regulatory context ensures that food producers have access to a range of flavoring agents while maintaining safety considerations and quality standards in food production.

Adi Example Calculation

An illustrative example of the ADI concept involves a hypothetical numeric ADI value assigned to a food additive and a hypothetical body weight. For instance, if a flavoring agent had an ADI of 5 mg per kilogram of body weight per day, a person weighing 70 kilograms would have a theoretical safe exposure limit of 350 mg per day calculated by multiplying the ADI by body weight. However, in the case of BUTYL HEPTANOATE, regulatory evaluations have indicated that there is no safety concern at current levels of intake when used as a flavoring agent, so a specific numeric ADI is not assigned. Therefore, this example serves only to illustrate how numeric ADIs are used conceptually and should not be interpreted as applying directly to BUTYL HEPTANOATE.

Safety And Health Research

Safety assessments of flavoring agents like BUTYL HEPTANOATE focus on establishing whether typical use levels pose any potential health risks. International scientific bodies, such as the Joint FAO/WHO Expert Committee on Food Additives (JECFA), conduct evaluations of flavoring substances to determine if safety concerns exist at current levels of dietary exposure. In the case of BUTYL HEPTANOATE, JECFA’s evaluation concluded that there is no safety concern at current intake levels when used as a flavoring agent, based on the data assessed by the committee. This assessment reflects expert consideration of available toxicological information and estimated exposure from typical use patterns. Regulatory evaluations often consider data from studies on acute toxicity, repeated dose toxicity, genotoxicity, and other endpoints that inform the establishment of acceptable use conditions. For many flavoring substances, including esters like BUTYL HEPTANOATE, the lack of specific adverse effects in the context of low-level exposure through food contributes to regulatory acceptance. It is important to note that such evaluations are made in the context of intended use levels, which for flavoring agents are typically very low relative to other food components. Therefore, comprehensive toxicological profiles that might be required for additives used at higher levels may not be necessary for flavoring substances with documented safety at low exposure. Overall, safety research and regulatory assessments support the conclusion that BUTYL HEPTANOATE can be used within the established regulatory frameworks without presenting safety concerns when used appropriately in food flavor applications. The emphasis remains on ensuring that flavoring agents are applied at levels that achieve their intended sensory effect without exceeding conditions evaluated by regulatory bodies.

Regulatory Status Worldwide

In the United States, BUTYL HEPTANOATE is recognized within the Food Additives status of synthetic flavoring substances and related adjuvants that may be safely used in food when incorporated in accordance with the principles of good manufacturing practice. This listing is codified under Title 21 of the Code of Federal Regulations, Section 172.515, which outlines the conditions for using synthetic flavoring substances and adjuvants in food products. The regulation emphasizes that such substances should be used at the minimum level needed to achieve their intended effect and within the boundaries of good manufacturing practice, reflecting the regulatory approach to maintaining safety while enabling flavor innovation in foods. At the international level, the Joint FAO/WHO Expert Committee on Food Additives (JECFA) evaluated BUTYL HEPTANOATE and concluded that it presents no safety concerns at current levels of intake when used as a flavoring agent, as documented in its food additives database. This evaluation acknowledges that, based on the available data and expert review, the compound’s use as a flavoring agent does not raise safety issues at typical exposure levels associated with its intended function. Such evaluations by JECFA provide an authoritative scientific basis for international consideration and may inform regulatory approaches in various jurisdictions. Different regions may have specific regulatory frameworks governing flavoring agents, but the overarching principle is that these substances must meet safety assessment and usage conditions that protect public health. The inclusion of BUTYL HEPTANOATE in regulatory inventories and safety evaluations underscores its recognition as a permitted flavoring component under defined conditions.

Taste And Functional Properties

BUTYL HEPTANOATE is characterized by a fruity, green-apple type odor and flavor profile that can be described as slightly herbaceous and reminiscent of certain fresh fruits. Esters like BUTYL HEPTANOATE generally provide distinct sensory cues that are valuable in flavor formulation, often contributing to top notes that are perceived quickly by smell and taste. The sensory impact of BUTYL HEPTANOATE is influenced by its volatility, which allows it to reach olfactory receptors effectively during the consumption experience. Functionally, this compound is used at very low concentrations in food products because esters are potent in their sensory effects; only small amounts are needed to achieve a perceptible flavor contribution. The sensory quality of an ester ingredient like BUTYL HEPTANOATE can also depend on the product matrix, as interactions with other ingredients, pH, and processing conditions may alter perception. Esters are typically more stable in neutral to mildly acidic environments and may volatilize under high heat, making their contribution most effective in products where high-temperature processing does not significantly degrade the compound. In formulation practice, flavorists consider both odor and taste properties, along with solubility in the intended food system. Esters tend to be more soluble in lipid-rich or alcohol-based systems than in water alone, which influences their distribution in complex food matrices. BUTYL HEPTANOATE’s sensory attributes complement a range of fruit and floral notes, and it is often paired with other esters and flavor components to achieve a balanced and appealing profile that aligns with product goals.

Acceptable Daily Intake Explained

An acceptable daily intake (ADI) is a concept used by food safety authorities to describe the amount of a substance that can be consumed every day over a lifetime without appreciable health risk, based on scientific evaluations. For many flavoring agents, including BUTYL HEPTANOATE, authoritative expert committees such as JECFA assess toxicological data and typical exposure levels to determine whether a formal numeric ADI is necessary. In the case of BUTYL HEPTANOATE, the evaluation concluded that there is no safety concern at current levels of intake when used as intended, which indicates that establishing a specific numeric ADI was not considered necessary for typical use levels documented in food. This approach reflects the reality that flavoring agents are used at very low concentrations in food products, resulting in relatively low dietary exposure compared to other food constituents. When a regulatory body determines that no safety concern exists at estimated intake levels, it implies that the compound’s presence in food at those levels is not expected to pose health risks under normal consumption patterns. It is important to understand that an ADI is not a recommended or target intake; rather, it is a safety benchmark used by regulators and risk assessors to guide assessment and approval decisions.

Comparison With Similar Additives

Flavoring esters such as ethyl butyrate, isoamyl acetate, and methyl anthranilate share functional similarities with BUTYL HEPTANOATE in that they provide distinctive fruity sensory notes when incorporated into food flavor blends. Ethyl butyrate often contributes pineapple or citrus notes, isoamyl acetate is associated with banana-like characteristics, and methyl anthranilate evokes grape-like attributes. These compounds, like BUTYL HEPTANOATE, are used at low concentrations to achieve impactful flavor contributions and are evaluated by regulatory bodies to ensure safety at intended use levels. Comparing these esters highlights how subtle changes in molecular structure influence the specific sensory profile perceived by consumers, while they all serve the overarching purpose of enhancing fruit-like notes in food products. In terms of regulatory context, many of these esters are also included in regulatory inventories of permitted flavoring agents, with conditions that emphasize their use in accordance with good manufacturing practice. Their selection in flavor formulation depends on the targeted taste profile, product matrix, and desired sensory experience. Understanding the roles of various esters enables flavor professionals to design balanced and appealing flavor compositions that meet consumer expectations without compromising regulatory compliance.

Common Food Applications Narrative

In many consumer food products, flavor is a critical driver of acceptance and enjoyment. BUTYL HEPTANOATE plays a role in contributing desirable fruit-like sensory characteristics in a variety of food categories. For example, fruit-flavored candies often rely on a precise blend of esters and other flavor compounds to evoke the perception of apple, pear, or berry notes. BUTYL HEPTANOATE may be one of the components selected by flavor professionals to reinforce green or fruity nuances in these confections. Similarly, beverage formulations such as soft drinks or fruit-flavored waters can incorporate ester flavoring agents to enhance the perception of natural fruit flavors, providing bright and fresh sensory notes that appeal to consumers. In baked products, controlled amounts of flavor esters help maintain consistent taste profiles even when natural fruit ingredients are limited or variable in quality. Gelatin desserts, frozen treats, and flavored dairy products can also benefit from the addition of carefully balanced flavoring agents to create a cohesive taste experience that aligns with product expectations. Across these applications, the technical objective is to use the minimum amount of flavoring agent required to achieve the intended sensory effect, in line with regulatory guidance. This ensures that the final product meets both safety considerations and consumer sensory expectations, contributing to a consistent taste experience across batches and production runs.

Safety & Regulations

FDA

  • Approved: True
  • Regulation: 21 CFR 172.515

EFSA

  • Notes: EFSA approval and numeric ADI not verified from authoritative source

JECFA

  • Year: 1997
  • Adi Display: No safety concern at current levels of intake when used as a flavouring agent

Sources

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