FlavScents AInsights Entry for Methyl (E)-2-hexenoate (CAS: 13894-63-8)

1. Identity & Chemical Information

• Common Name(s): Methyl (E)-2-hexenoate
• IUPAC Name: Methyl (E)-hex-2-enoate
• CAS Number: 13894-63-8
• FEMA Number: Not available
• Other Identifiers: FL number not available; CoE number not available; IFRA reference not available
• Molecular Formula: C7H12O2
• Molecular Weight: 128.17 g/mol
• Functional Groups and Structure–Odor Relevance: Methyl (E)-2-hexenoate is an ester, which typically contributes fruity and sweet notes to flavors and fragrances. The presence of the unsaturated bond in the hexenoate chain can influence the volatility and the diffusion of the odor, enhancing its impact in formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: Methyl (E)-2-hexenoate is characterized by a fruity, green, and slightly sweet odor profile. It is often described as having a fresh, apple-like scent with nuances of banana and pear.
• Taste and/or Odor Thresholds: Specific thresholds are not clearly reported in the literature; however, esters like methyl (E)-2-hexenoate typically have low odor thresholds, making them effective at low concentrations.
• Typical Sensory Role: This compound is primarily used as an impact note in flavor formulations, providing a fresh and fruity character that enhances the overall profile of the product.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: Methyl (E)-2-hexenoate is found naturally in various fruits, including apples and bananas, contributing to their characteristic aromas.
• Formation Pathways: It can be formed through enzymatic reactions in fruits, where fatty acids are converted into volatile esters during ripening.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: Due to its natural occurrence in fruits, methyl (E)-2-hexenoate can be labeled as a natural flavor or fragrance component when derived from natural sources.

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

4. Use in Flavors

• Flavor Categories and Applications: Methyl (E)-2-hexenoate is used in fruit flavors, particularly apple, pear, and banana profiles. It is also used in confectionery, beverages, and dairy products to enhance fruity notes.
• Functional Role in Flavor Systems: It acts as an impact note, providing freshness and authenticity to fruit flavors.
• Typical Use Levels: Use levels in finished food products typically range from 0.1 to 5 ppm, depending on the desired intensity and the complexity of the flavor system.
• Stability Considerations: Methyl (E)-2-hexenoate is relatively stable under normal storage conditions but may degrade under high heat or acidic conditions, which can affect its flavor profile.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

• Fragrance Families and Product Types: This compound is used in fruity and floral fragrance compositions, often in personal care products like shampoos and body washes.
• Functional Role: It serves as a modifier, adding freshness and a fruity top note to fragrance blends.
• Typical Concentration Ranges: Concentrations in fragrance formulations typically range from 0.1% to 1%, depending on the desired effect and product type.
• Volatility and Top/Middle/Base Contribution: Methyl (E)-2-hexenoate is a volatile compound, contributing primarily to the top notes of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States (FDA / FEMA GRAS): Methyl (E)-2-hexenoate is generally recognized as safe (GRAS) for use in food flavors.
• European Union (Reg. (EC) No 1334/2008; FL Number Status): It is permitted for use in food flavorings under EU regulations, though specific FL numbers are not reported.
• United Kingdom (Post-Brexit Alignment or Divergence): Regulatory status aligns with EU regulations, with no significant divergence reported.
• Asia (Japan, China, ASEAN): Generally permitted for use in food flavors, but specific regulatory details may vary by country.
• Latin America (e.g., Brazil, MERCOSUR): Typically allowed in food flavorings, subject to regional regulations.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Methyl (E)-2-hexenoate is considered safe for oral consumption at typical use levels in food. No specific ADI or MSDI values are reported, but it is used within industry-typical safety margins.
• Dermal Exposure: In fragrance applications, it is not known to cause irritation or sensitization at typical use levels. IFRA guidelines should be consulted for specific product categories.
• Inhalation Exposure: As a volatile compound, inhalation exposure is possible, but no significant occupational hazards are reported at typical use levels.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Methyl (E)-2-hexenoate is valued for its ability to impart fresh, fruity notes that enhance the authenticity of fruit flavors and fragrances.
• Typical Synergies: It blends well with other esters and fruity compounds, enhancing the overall complexity and appeal of the formulation.
• Common Formulation Pitfalls: Overuse can lead to an overpowering or artificial aroma, so careful balancing with other components is essential.
• Situations Where It is Frequently Over- or Under-used: It is often under-used in complex formulations where its subtlety can be overshadowed by more dominant notes.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: The sensory profile and natural occurrence of methyl (E)-2-hexenoate are well-documented in the literature.
• Industry-Typical but Undocumented Practices: Use levels and formulation strategies are often based on industry experience rather than formal studies.
• Known Data Gaps or Regulatory Ambiguities: Specific regulatory details and safety data may be limited or vary by region.

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 2026-08-12 13:09:48 GMT (p2)