FlavScents AInsights Entry: Methyl (E)-3-hexenoate (CAS: 13894-61-6)

1. Identity & Chemical Information

• Common Name(s): Methyl (E)-3-hexenoate
• IUPAC Name: Methyl (E)-hex-3-enoate
• CAS Number: 13894-61-6
• 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

Methyl (E)-3-hexenoate is an ester characterized by its unsaturated aliphatic chain, which contributes to its fruity and green odor profile. The presence of the ester functional group is crucial for its volatility and odor characteristics, making it a valuable compound in both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl (E)-3-hexenoate is known for its distinctive fruity and green odor, reminiscent of unripe fruits and fresh-cut grass. It is often described as having a moderate intensity with good diffusion properties, making it suitable for use as an impact note in formulations. The compound's sensory role is typically as a modifier or enhancer, adding freshness and complexity to flavor and fragrance compositions. Specific taste and odor thresholds are not well-documented, but its impact is notable even at low concentrations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Methyl (E)-3-hexenoate is naturally found in various fruits, contributing to their characteristic aromas. It is often formed through enzymatic processes during fruit ripening, where it plays a role in the development of the fruit's aroma profile. This compound is relevant for "natural flavor" designations, as it can be derived from natural sources through extraction and isolation processes.

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

4. Use in Flavors

Methyl (E)-3-hexenoate is utilized in a variety of flavor categories, including fruit, green, and herbal profiles. It serves as a functional component in flavor systems, providing freshness and enhancing the authenticity of fruit flavors. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, with industry-typical concentrations often around 1 ppm. The compound is relatively stable under normal conditions but may degrade under extreme heat or acidic conditions, which should be considered during formulation.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, methyl (E)-3-hexenoate is used across various fragrance families, including green, fruity, and floral compositions. It acts as a modifier or impact note, providing a fresh, green character that enhances the overall scent profile. Typical concentration ranges in fragrance formulations are from trace amounts to 0.5%, depending on the desired intensity and product type. Its volatility allows it to contribute primarily to the top and middle notes of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed as FEMA GRAS; usage should comply with general safety standards.
• European Union: Not specifically listed under Regulation (EC) No 1334/2008; assumed safe under general flavoring guidelines.
• United Kingdom: Follows EU regulations post-Brexit with no significant divergence reported.
• Asia: Limited specific data; generally follows international safety guidelines.
• Latin America: Usage is generally aligned with international standards, but specific national regulations should be consulted.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: No specific ADI or MSDI established; considered safe at typical flavor use levels.
• Dermal Exposure: Limited data on irritation or sensitization; generally considered low risk in fragrance applications.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered.

Overall, methyl (E)-3-hexenoate is regarded as safe for use in both food and fragrance applications, with no significant differences in risk profiles between these uses.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Methyl (E)-3-hexenoate is valued for its ability to impart a fresh, green note to both flavors and fragrances. It synergizes well with other fruity and green compounds, enhancing the overall complexity and authenticity of formulations. Common pitfalls include overuse, which can lead to an overpowering or artificial aroma. It is often under-utilized in compositions where a subtle green note could enhance the profile.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on methyl (E)-3-hexenoate is well-established in terms of its sensory characteristics and typical use levels. However, specific regulatory approvals and toxicological data are less documented, requiring formulators to rely on industry-typical practices and general safety guidelines.

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 2026-03-05 15:57:35 GMT (p2)