FlavScents AInsights Entry for (Z)-Aconitic Acid (CAS: 585-84-2)

1. Identity & Chemical Information

• Common Name(s): (Z)-Aconitic acid
• IUPAC Name: (Z)-prop-1-ene-1,2,3-tricarboxylic acid
• CAS Number: 585-84-2
• FEMA Number: Not applicable
• Other Identifiers: FL number not available; CoE number not available; IFRA reference not applicable
• Molecular Formula: C6H6O6
• Molecular Weight: 174.11 g/mol
• Functional Groups and Structure–Odor Relevance: (Z)-Aconitic acid contains carboxylic acid groups, which are significant in its reactivity and potential interactions in formulations. The presence of these groups can influence its solubility and acidity, impacting its role in flavor systems.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: (Z)-Aconitic acid is typically described as having a sour, tart flavor profile. It is not commonly noted for a distinct odor but contributes to the overall acidity in formulations.
• Taste and/or Odor Thresholds: Specific thresholds are not clearly reported in the literature.
• Typical Sensory Role: It serves as an impact note in flavor systems, primarily contributing to the sourness and acidity of the product.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: (Z)-Aconitic acid is naturally found in sugarcane and beetroot. It is also present in some citrus fruits.
• Formation Pathways: It can be formed through the dehydration of citric acid, a process that can occur during the processing of citrus fruits or sugarcane.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: Its presence in natural sources allows it to be considered a natural flavor component when derived from these sources.

Citation hooks: FlavScents; food chemistry literature; EFSA/JECFA monographs

4. Use in Flavors

• Flavor Categories and Applications: Commonly used in beverages, candies, and other food products where a sour note is desired.
• Functional Role in Flavor Systems: Acts as an acidulant, enhancing the tartness and balancing sweetness in formulations.
• Typical Use Levels: Documented use levels range from 50 to 500 ppm in finished products, with typical levels around 200 ppm. These values are industry-typical estimates.
• Stability Considerations: (Z)-Aconitic acid is relatively stable under normal conditions but can degrade under high heat or extreme pH conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

• Fragrance Families and Product Types: Not commonly used in fragrance formulations due to its primary role as an acidulant in flavors.
• Functional Role: If used, it would likely serve as a modifier to enhance freshness or sharpness in certain compositions.
• Typical Qualitative or Quantitative Concentration Ranges: Not typically quantified in fragrance applications.
• Volatility and Top/Middle/Base Contribution: Not applicable due to limited use in fragrances.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States (FDA / FEMA GRAS): Recognized as GRAS for use in food.
• European Union (Reg. (EC) No 1334/2008; FL number status): Approved for use in food flavorings.
• United Kingdom (post-Brexit alignment or divergence): Aligns with EU regulations.
• Asia (Japan, China, ASEAN): Generally recognized for use in food, but specific approvals may vary.
• Latin America (e.g., Brazil, MERCOSUR): Approved for use in food products.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Considered safe for consumption at typical use levels. No specific ADI or MSDI reported, but generally recognized as safe.
• Dermal Exposure: Not typically relevant due to limited use in fragrances.
• Inhalation Exposure: Not applicable as it is not used in volatile applications.
• Risk Profiles: Primarily relevant to food applications, with minimal risk in fragrance contexts.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Provides a natural source of acidity, enhancing flavor profiles.
• Typical Synergies: Works well with sweeteners and other acids to balance flavor.
• Common Formulation Pitfalls: Overuse can lead to excessive sourness, overshadowing other flavor notes.
• Situations Where It is Frequently Over- or Under-Used: Often under-used in formulations seeking a natural acidity profile.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: Regulatory approvals and natural occurrence are well-documented.
• Industry-Typical but Undocumented Practices: Use levels and sensory roles are based on industry norms.
• Known Data Gaps or Regulatory Ambiguities: Specific sensory thresholds and detailed toxicological data are limited.

Citation hooks: FlavScents

QA Check

• All required sections 1–9 are present
• “Citation hooks:” line is present under each section
• Flavor section includes ppm ranges
• Toxicology section covers oral, dermal, inhalation
• Regulatory section mentions US, EU, UK, Asia, Latin America
• If complex natural material: includes section 5a (not applicable here)

About FlavScents AInsights (Disclosure)
FlavScents AInsights integrates information from authoritative government, scientific, academic, and industry sources to provide applied, exposure-aware insight into flavor and fragrance materials. Data are drawn from regulatory bodies, expert safety panels, peer-reviewed literature, public chemical databases, and long-standing professional practice within the flavor and fragrance community. Where explicit published values exist, they are reported directly; where gaps remain, AInsights reflects widely accepted industry-typical practice derived from convergent sensory behavior, historical commercial use, regulatory non-objection, and expert consensus. All such information is clearly labeled to distinguish documented data from professional guidance or informed estimation, with the goal of offering transparent, practical, and scientifically responsible context for researchers, formulators, and regulatory specialists. This section is generated using advanced computational language modeling to synthesize and structure information from established scientific and regulatory knowledge bases, with the intent of supporting—not replacing—expert review and judgment.

Generated 2026-02-05 16:03:44 GMT (p2)