BUTANAL DIBENZYL THIOACETAL

CAS: 101780-73-8 FLAVORING AGENT OR ADJUVANT

Butanal dibenzyl thioacetal is a synthetic flavouring agent with CAS 101780-73-8 evaluated by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) and assigned JECFA number 1939, with its safety evaluation reported as incomplete pending additional data according to available regulatory records.

What It Is

Butanal dibenzyl thioacetal is a synthetic flavouring agent used to impart or modify aroma and taste properties in food and food components. It is identified by CAS number 101780-73-8 and belongs to the broader class of flavouring agents or adjuvants that influence sensory characteristics of foods without contributing significant nutritional value. Chemically, it consists of a dithioacetal structure formed from butanal and benzyl mercaptan moieties. This structural arrangement typically contributes to specific organoleptic properties, such as pungent fruity notes observed in sensory characterisation at low concentrations during formulation studies. The compound is listed in the Food and Agriculture Organization (FAO) and World Health Organization (WHO) Joint Expert Committee on Food Additives (JECFA) database with functional classification as a flavouring agent, where its evaluation for use and safety remains incomplete due to the requirement for additional data. Its use is mainly technical in nature, helping flavour formulation specialists achieve desired sensory effects in processed foods.

How It Is Made

Butanal dibenzyl thioacetal is generally prepared by synthetic organic chemistry routes in which butanal is reacted with benzyl mercaptan under controlled conditions to form the dithioacetal linkage. This type of reaction involves the nucleophilic attack of the thiol group on the carbonyl carbon of the aldehyde, followed by elimination of water and formation of the stable dithioacetal product. The manufacturing process is typical of many synthetic flavouring substances and can be carried out at industrial scale in facilities equipped for handling thiol chemistry. Quality control and purification steps are necessary to attain appropriate purity before formulation into flavour blends. Because of the reactive nature of thiol groups and dithioacetal linkages, manufacturers monitor reaction conditions, catalysts, temperature, and reaction times to achieve consistent product quality. Purification can involve distillation or chromatography to remove side products and unreacted starting materials. The end result is a colourless to pale yellow liquid composition used in minute concentrations due to its potent sensory character.

Why It Is Used In Food

Butanal dibenzyl thioacetal is used in foods to achieve specific flavour profiles and to enhance existing sensory characteristics of food products. Flavouring agents such as this are incorporated into formulations to provide fruity, pungent, or complementary aroma notes that contribute to the overall flavour balance. They are especially common in complex flavour systems where blending multiple agents allows food technologists to tailor sensory outcomes for consumer acceptability. In many processed foods, natural flavour components may be supplemented or balanced with synthetic flavouring agents to maintain consistency across production batches, compensate for loss of volatile compounds during processing, and achieve a targeted sensory signature. Because the compound’s effects are noticeable even at very low concentrations, it is typically used in parts-per-million or below levels in food flavour formulations.

Adi Example Calculation

The following illustration demonstrates how an Acceptable Daily Intake (ADI) is generally used when it has been established for a food additive. For example, if a regulatory authority sets an ADI of "X mg per kg of body weight" for a flavouring, a person weighing 70 kg could theoretically consume up to 70 times X milligrams of that additive per day over a lifetime without appreciable risk. Because butanal dibenzyl thioacetal does not currently have a formally defined ADI from major regulators like JECFA or EFSA, this calculation remains illustrative and does not apply specifically to this compound. It is intended to clarify how ADIs function in risk assessment rather than provide a consumption recommendation for this ingredient.

Safety And Health Research

Safety evaluation of butanal dibenzyl thioacetal has been addressed by international bodies that assess food flavouring substances, recognising it as a flavouring agent for use in food applications. According to the Joint FAO/WHO Expert Committee on Food Additives (JECFA), the safety evaluation of this compound remained incomplete as additional data were required to finalise a full assessment. This indicates that although it has been surveyed within expert panels, a full suite of toxicological information such as chronic toxicity, genotoxicity, and metabolic fate has not been publicly documented to complete formal risk characterisation. At present, published safety data specifically linking consumption of this compound at typical formulation levels to defined health outcomes are limited, and regulators rely on expert judgement and structural comparisons with related compounds. It is standard for safety assessments of flavouring agents to consider potential endpoints including organ toxicity, reproductive and developmental effects, and any structural alerts for genotoxicity, based on experimental data where available. In the absence of complete data, regulatory frameworks maintain cautious recognition, allowing use within appropriate technical and good manufacturing practice parameters while awaiting more comprehensive safety research.

Regulatory Status Worldwide

Globally, butanal dibenzyl thioacetal is recognised in regulatory and expert evaluation frameworks that address flavouring substances, but its formal safety evaluation has not been completed. The Joint FAO/WHO Expert Committee on Food Additives (JECFA) lists the compound with JECFA number 1939 and classifies it as a flavouring agent, noting that additional data are required to complete the safety evaluation. This status indicates that, while the compound appears on flavouring inventories, regulators maintain a cautious position due to incomplete data, and no specific acceptable daily intake (ADI) has been established by JECFA. In the United States, the compound appears in the FDA’s Formerly EAFUS (Everything Added to Food in the United States) list as a flavouring agent, reflecting recognition of its use by the flavour industry rather than a specific regulatory approval with numerical conditions of use. Within the European Union, there is no assigned E number for this substance in current approved food additive lists, and EFSA’s regulatory framework for flavourings would require a completed safety assessment before formal authorisation. This regulatory context reflects varied global practices in evaluating synthetic flavourings, where specific authorisation and numeric safety criteria depend on available toxicological data and risk assessments.

Taste And Functional Properties

Butanal dibenzyl thioacetal is characterised by a pungent fruity odour profile that contributes to its use as a flavouring agent in food and beverage applications that require fruity or distinctive aroma enhancements. Sensory studies indicate its ability to influence the aromatic perception of a formulation, making it useful in flavour design. Physico-chemical properties of this compound include limited water solubility and greater solubility in organic solvents common to flavour matrices. The functional behaviour of the compound in foods depends on formulation and processing conditions, with stability influenced by factors such as pH, temperature, and the presence of other reactive components. Its inclusion in flavour blends takes into account both the desired sensory impact and the functional compatibility with other ingredients, such as emulsifiers or carriers. When used within controlled concentrations, the compound can contribute to complex flavour profiles without dominating other flavour notes.

Acceptable Daily Intake Explained

An Acceptable Daily Intake (ADI) is a regulatory concept used by food safety authorities to describe the estimated amount of a substance that can be consumed daily over a lifetime without appreciable health risk, typically expressed in milligrams per kilogram of body weight. ADIs are derived from toxicological studies in experimental animals or humans, incorporating safety factors to account for uncertainty and variability across populations. For butanal dibenzyl thioacetal, no specific numeric ADI has been established by major regulatory bodies because JECFA’s evaluation remains incomplete and EFSA has not published a designated tolerance level. Consequently, without a completed safety assessment and numeric ADI, regulatory safety assessments emphasise that use should be consistent with good manufacturing practice and typical exposure levels remain low due to the potent sensory nature of flavouring agents. The absence of a quantified ADI in current regulatory records should not be interpreted as a proven risk, but rather as a reflection of incomplete data required to support a formal intake guideline.

Comparison With Similar Additives

Butanal dibenzyl thioacetal shares functional similarities with other synthetic flavouring agents that contribute fruity or characteristic aroma notes in food formulations. For example, benzyl acetate is a synthetic ester that provides floral and fruity notes commonly used in confectionery and beverage flavour blends; it is evaluated with established regulatory limits in some jurisdictions. Another related flavouring substance, ethyl butyrate, contributes fruity aroma and is used extensively in fruit-flavored products with defined usage levels. Unlike these common flavourings, butanal dibenzyl thioacetal’s regulatory assessment remains incomplete, illustrating that not all structurally similar compounds receive equivalent regulatory conclusions. This comparison highlights the diversity of synthetic flavouring agents in terms of sensory properties and regulatory evaluation status, and underscores the importance of comprehensive safety data for establishing formal safety benchmarks.

Common Food Applications Narrative

Butanal dibenzyl thioacetal, as a synthetic flavouring agent, finds application where specific aroma and taste nuances are desired to enhance or balance a food’s sensory profile. In broad categories such as savoury snacks and condiments, small amounts of this agent can help achieve a fruity or characteristic note that complements other flavour components. In beverage concentrates and soft drinks, careful addition can be part of a complex flavour formula designed to mimic desirable natural profiles or to augment fruit-derived flavours. Dairy products with added flavours may also use synthetic flavouring agents to ensure consistency of taste across batches and to provide appealing aroma when natural ingredients alone are insufficient to meet quality standards. Confectionery products including hard candies, chewing gums, and frostings often incorporate defined flavouring agents to establish specific taste signatures that consumers expect. These applications illustrate the role of flavouring agents like butanal dibenzyl thioacetal in contributing to the sensory experience of modern food products when used within regulated and technically justified levels.

Safety & Regulations

FDA

  • Notes: Specific FDA regulatory approval conditions for use are not available in current accessible databases.

EFSA

  • Notes: No EFSA evaluation or E number has been published for this substance.

JECFA

  • Notes: JECFA evaluation is incomplete and no numeric ADI has been established.

Sources

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