3-(ACETYLTHIO)-2-METHYLFURAN

CAS: 55764-25-5 FLAVORING AGENT OR ADJUVANT

3-(ACETYLTHIO)-2-METHYLFURAN (CAS 55764-25-5) is an organic sulfur-containing furan derivative used in flavoring applications; it has been evaluated by flavor industry safety bodies for intended use under specified conditions.

What It Is

3-(ACETYLTHIO)-2-METHYLFURAN is a chemically defined organic compound identified by the CAS Registry Number 55764-25-5. It is a furan derivative in which a methylfuran ring is substituted with an acetylthio group at the 3-position. The compound belongs to a class of heterocyclic sulfur-containing compounds that possess distinct organoleptic properties, making them useful as flavoring agents in food and beverage formulations. It is also identified in industry flavoring libraries under the FEMA number 3973 and a JECFA evaluation number of 1069, indicating that it has been reviewed by expert panels for its safety when used as a flavoring substance. The chemical structure, molecular formula, and related identifiers such as InChIKey and PubChem CID are widely catalogued in chemical databases, and these identifiers allow scientists, regulators, and manufacturers to reference the compound unambiguously in technical and regulatory contexts. Its classification as a flavoring agent or adjuvant reflects its function in modulating or enhancing sensory characteristics in products, rather than providing nutritive value. The compound’s basic description highlights that it is an indirectly added substance in food production, meaning it influences flavor characteristics rather than serving as a nutrient or preservative. Many sulfur-containing heterocyclic compounds like this one contribute to roasted, meaty, or savory notes at trace concentrations in complex flavor matrices. As a technical entity, it is discussed in chemical safety literature and flavor industry resources, and essential physical properties such as volatility, boiling point, and refractive index are catalogued so that formulators and safety assessors can understand its behavior in processing environments. Its inclusion in flavoring ingredient libraries suggests it has recognized organoleptic relevance, though regulatory permissions for use in foods vary by jurisdiction and require formal acceptance through established regulatory pathways.

How It Is Made

The production of 3-(ACETYLTHIO)-2-METHYLFURAN involves organic synthesis techniques typical for creating furan-based thioesters. At a high level, synthesis may begin with a substituted furan precursor such as 2-methylfuran or a related thiol-containing intermediate. A key step involves the introduction of the thioacetate functional group; this may be achieved by reacting the appropriate thiol precursor with an acetylating agent under controlled conditions to yield the thioester linkage. Similar thioesterification reactions are common in flavor chemistry and are chosen because they can proceed efficiently when catalyzed by acids or other catalysts that promote ester formation. The compound is generally manufactured in chemical production facilities with standard organic chemistry infrastructure. Precursors are combined in reaction vessels under controlled temperature and pressure conditions, and the reaction progress is monitored using analytical tools such as gas chromatography or high-performance liquid chromatography. After synthesis, crude product mixtures are subjected to purification steps such as distillation or chromatography to achieve the desired flavor-grade quality. Specifications for purity and impurity limits are established by manufacturers and sometimes referenced in safety data sheets (SDS) or industry catalogues. In commercial practice, production often aims to achieve a high degree of purity suitable for flavor applications, with typical analytical purity values reported by suppliers. Because this compound contains sulfur, manufacturing processes also emphasize proper handling of vapors and by-products, as sulfur-containing intermediates can have strong odors and may require specialized containment and ventilation. Standard industrial safety protocols are applied to minimize exposure risks to workers during synthesis and purification. In the context of flavor industry use, production batches may also undergo sensory evaluation to confirm that the compound exhibits the expected organoleptic characteristics, and quality control ensures batch-to-batch consistency for formulators.

Why It Is Used In Food

3-(ACETYLTHIO)-2-METHYLFURAN is used in food and beverage contexts primarily for its contribution to flavor profiles. Flavoring agents are added to formulations to enhance or modify the sensory experience of foods and drinks, and sulfur-containing heterocyclic compounds like this one often impart savory, meaty, or roasted notes that are difficult to achieve with simpler molecules. In applications where complexity and depth of flavor are desired—such as in seasonings, savory snacks, sauces, or meat analogues—compounds with specific aromatic signatures are incorporated in minute quantities to achieve a balanced profile that resonates with consumer expectations. The use of this compound as a flavoring substance is supported by industry flavor libraries that catalogue thousands of chemicals evaluated for safety and sensory relevance. These libraries provide formulators with evidence summaries, sensory descriptors, and recommended conditions of use for various flavoring agents. In the case of 3-(ACETYLTHIO)-2-METHYLFURAN, descriptors associated with similar compounds suggest that it may contribute notes such as roasted, meat-like, or sulfurous nuances when used at trace levels. Such notes can be particularly valuable in complex applications like savory bouillons, grilled or roasted flavor profiles, and cross-modal effects when paired with other aroma chemicals. Another reason for using this compound in food formulations is its compatibility with other flavor ingredients. Chemical flavor systems often combine dozens of individual molecules; each contributes a small piece of the overall sensory tapestry. A compound like 3-(ACETYLTHIO)-2-METHYLFURAN may be selected for its synergistic interactions with other sulfur-containing compounds, enhancing the perception of depth and authenticity in the final product. Functionally, it is not intended to replace main ingredients but rather to fine-tune the flavor landscape, ensuring that products meet target sensory specifications.

Adi Example Calculation

Illustrative Calculation (Not Regulatory Guidance): Suppose a hypothetical ADI for a flavoring agent were established at a reference level by a regulatory body. If an adult weighs 70 kilograms and the ADI was expressed as X mg per kilogram of body weight per day, total safe intake per day would be X times 70. For example, if an ADI were 1 mg/kg bw, a 70 kg adult’s lifetime daily intake below 70 mg would be considered within the acceptable range. However, because no specific numeric ADI for 3-(ACETYLTHIO)-2-METHYLFURAN is documented in the publicly accessible regulatory sources d here, the example above is entirely hypothetical and intended only to explain how ADIs function generally. This example does not imply that such an ADI value exists for this compound and should not be used as a basis for exposure assessment in real-world scenarios.

Safety And Health Research

Safety and health research related to flavoring agents like 3-(ACETYLTHIO)-2-METHYLFURAN focuses on understanding potential toxicological effects, exposure profiles, and metabolic pathways that inform risk assessments. Flavoring substances are evaluated by expert panels through a weight-of-evidence approach that includes reviewing available data on absorption, distribution, metabolism, and excretion, as well as studies examining acute toxicity, chronic toxicity, and potential genotoxic or carcinogenic effects. Organizations such as the Joint FAO/WHO Expert Committee on Food Additives (JECFA) provide frameworks for evaluating these data and determining whether a compound can be considered safe under defined conditions of use. The WHO’s fact sheet on food additives describes how JECFA’s evaluations form the basis for establishing acceptable daily intakes (ADIs) and maximum use levels in foods. While specific numerical ADI values for this compound are not documented here due to lack of publicly accessible deep links confirming an exact ADI, the general process involves applying conservative safety factors to account for uncertainties and variability in human responses to chemical exposures. In the absence of robust public toxicological studies for a given compound, safety assessments may rely on structural analogies, read-across data, and expert judgement to determine whether further research is required. Industry evaluations, such as those by FEMA’s GRAS Expert Panel, review available scientific literature and sensory data, and may consider results from related compounds to gauge safety. These evaluations are typically specific to intended use levels in food, recognizing that flavoring agents are used at very low concentrations. The outcomes of these evaluations guide manufacturers on conditions of use but may not carry the same legal status as government approvals. As a result, scientific uncertainty may remain in areas such as long-term exposure effects or specific sensitive population responses, which national regulators would consider in formal assessments.

Regulatory Status Worldwide

The regulatory status of 3-(ACETYLTHIO)-2-METHYLFURAN varies considerably across jurisdictions, and explicit authorizations for use as a flavoring agent depend on formal evaluations by competent authorities. In the United States, the Food and Drug Administration (FDA) maintains a process for the premarket approval of food additives and also recognizes certain substances as Generally Recognized as Safe (GRAS) when their safety under intended conditions of use is supported by scientific evidence. At present, there is no specific entry in the Code of Federal Regulations that explicitly lists this compound as an approved direct food additive, and no publicly available FDA regulation has been identified to confirm an FDA-approved status for use in foods. This means that definitive claims about U.S. regulatory approval cannot be made without additional evidence, and FDA-related fields are set to null or explanatory notes within this reference. In the European Union, flavoring substances are listed and regulated under EU flavoring regulations and associated Union lists that distinguish between categories of flavorings. Regulatory bodies such as the European Commission and the European Food Safety Authority (EFSA) evaluate flavoring substances against safety criteria. While comprehensive EU Union lists include approved flavorings and conditions of use, there is no readily available deep link confirming this specific compound’s listing as a permitted flavoring substance with an assigned FL number or conditions of use. Therefore, regulatory acceptance in the EU should not be assumed without consultation of the current Union lists. At the international level, industry bodies such as the Flavor and Extract Manufacturers Association (FEMA) maintain a FEMA GRAS Flavor Library, in which this compound is catalogued with FEMA number 3973, indicating that it has been evaluated within the industry’s GRAS framework for its intended use as a flavoring substance under specified conditions (such as concentration limits). This evaluation by an expert panel is distinct from governmental regulatory approval but serves as a reference point for manufacturers considering the compound’s use in formulations. In other jurisdictions such as Canada, Australia, New Zealand, and others, national authorities similarly regulate flavoring substances through specific lists of permissible additives and premarket evaluation processes. The lack of explicit listings in publicly accessible regulatory databases suggests that formal permission for use in food may be limited, conditional, or pending in certain regions without additional review and submission to local authorities.

Taste And Functional Properties

3-(ACETYLTHIO)-2-METHYLFURAN has distinct sensory attributes that make it valuable as a flavoring agent. The presence of sulfur in the molecular structure often correlates with savory and roasted notes that are highly potent at low concentrations. In sensory descriptors used by flavor chemists, sulfur-containing furans and thioesters can impart meaty, roasted, or even slightly onion-like characteristics, which are desirable in certain savory applications. The compound’s aroma profile is leveraged in formulations where complexity and intensity are required without adding bulk or caloric content. Functional behavior of this compound in food matrices depends on its volatility and stability. Like many furan derivatives, it is relatively volatile and can contribute to the top notes of a flavor profile, meaning that it is perceived early during aroma sniffing or first impression tasting. Its thermal stability is moderate; while it can survive some processing conditions, extreme heat or prolonged high-temperature exposure may alter its sensory contributions. Formulators consider factors such as pH, fat content, and processing temperature when incorporating this compound into a recipe to ensure the desired sensory outcome remains intact from production through consumption. Because taste perception arises from a combination of olfactory and gustatory inputs, this compound’s significance lies in its ability to modulate aroma and flavor perception rather than directly interact with taste receptors. Its contribution to overall flavor complexity helps products achieve depth and character. At the trace concentrations used in flavor systems, it typically does not impart undesirable tastes but rather enriches the profile in harmony with other flavor components. The compound’s physicochemical properties, such as solubility in typical food matrices and its interaction with other volatile components, are part of the technical considerations that flavorists evaluate when designing formulations.

Acceptable Daily Intake Explained

An Acceptable Daily Intake (ADI) is a benchmark used by safety assessors to estimate the amount of a food additive that can be consumed daily over a lifetime without appreciable health risk. It is derived from toxicological studies that identify a no-observed-adverse-effect level (NOAEL) in test animals and then applies safety factors to account for differences between animals and humans and variability within human populations. For many flavoring agents, particularly those used at low concentrations in foods, formal ADIs may not be established in publicly available regulatory documents if comprehensive evaluations have not been published by authoritative bodies such as JECFA or EFSA. In the case of 3-(ACETYLTHIO)-2-METHYLFURAN, no specific numeric ADI value has been identified from authoritative regulatory sources that are publicly accessible via deep links, and as such, numeric fields related to ADI have been set to null with explanatory notes. This absence of an explicit ADI does not imply hazard; rather, it reflects that a formal, publicly documented ADI determination by an internationally recognized body has not been located in the available evidence at the time of writing. ADI values, when established, are useful for risk managers and formulators because they provide a quantitative reference that helps ensure that cumulative exposure from all sources remains below levels considered safe. In the absence of a specific ADI, industry expert evaluations such as FEMA GRAS assessments help guide safe use levels in product formulations.

Comparison With Similar Additives

When considering flavoring agents with functional roles similar to 3-(ACETYLTHIO)-2-METHYLFURAN, it is instructive to compare it with other sulfur-containing flavor compounds that contribute to savory sensory profiles. Compounds such as 2-methyl-3-furanthiol and related thioesters also present potent aroma characteristics at low concentrations, often described as roasted, meaty, or savory. Like 3-(ACETYLTHIO)-2-METHYLFURAN, these compounds are used in complex flavor systems where nuanced sensory modulation is required. Another example is ethyl thioacetate, a related thioester that provides sulfurous and fruity notes depending on concentration and matrix; formulators may choose between these compounds based on the specific aromatic profile they wish to achieve. Compared to simpler furans such as 2-methylfuran, which may contribute sweet or green notes, sulfur-containing analogues provide a different dimension of complexity, often enhancing the perception of depth and character in savory applications. These comparisons underscore that while many flavoring agents share broad functional categories (e.g., savory enhancers), each has a unique sensory contribution and behavioral profile in food systems. Regulatory status and safety evaluations may also differ for each compound, depending on the available data and formal assessments by agencies or expert panels.

Common Food Applications Narrative

In the context of food and beverage applications, 3-(ACETYLTHIO)-2-METHYLFURAN is considered a specialized building block for flavor creation rather than a broad-spectrum additive found in many everyday products. Flavoring agents like this are most often incorporated in complex systems where nuanced sensory profiles are desired, such as savory seasonings, snack flavors, grilled or roasted meat analogues, and umami-enhanced products. These flavoring agents are typically used at very low levels, often in parts per million or lower, because of their potency and the sensitivity of human olfaction to sulfur-containing heterocycles. For example, in developing a savory snack flavor, food scientists may combine this compound with other aroma chemicals that together evoke the signature notes of grilled or roasted meats. Each ingredient contributes a distinct sensory dimension, and the expert panel evaluations catalogued in flavoring libraries provide guidance on how to balance these contributions. In beverage formulations, especially those that aim to replicate rich or smoky notes without actual roasting, such flavoring agents can add depth that would otherwise be challenging to formulate. The use of this compound in products is rarely, if ever, directly discernible to the consumer by name. Instead, consumers experience the aggregate flavor profile crafted by food technologists. These profiles are designed to meet expectations for specific culinary experiences—such as barbecued meats, savory broths, or umami-rich sauces. Because flavoring agents are declared in ingredient lists under their technical names or as part of flavoring blends, consumers may not recognize individual components. However, the deliberate and regulated use of these compounds ensures that flavor complexity can be achieved in a controlled and safe manner for intended applications.

Safety & Regulations

FDA

  • Notes: No specific FDA regulation listing for this compound as a direct food additive has been located in publicly accessible sources; FDA status is uncertain.

EFSA

  • Notes: No specific EFSA authorization or E-number has been located in publicly accessible sources for this compound.

JECFA

  • Notes: No specific numeric ADI or evaluation summary with year was located in publicly accessible JECFA database search; FEMA number exists but official JECFA details require further lookup.

Sources

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