FlavScents AInsights Entry for Ethyl 3-Methyl-3-Butenoate (CAS: 1617-19-2)

1. Identity & Chemical Information

• Common Name(s): Ethyl 3-methyl-3-butenoate
• IUPAC Name: Ethyl 3-methylbut-3-enoate
• CAS Number: 1617-19-2
• 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: Ethyl 3-methyl-3-butenoate is an ester, a functional group known for contributing fruity and sweet aromas. The presence of the double bond in the butenoate moiety may influence its volatility and odor profile, enhancing its diffusion and impact in formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: Ethyl 3-methyl-3-butenoate is characterized by a fruity, sweet aroma reminiscent of pineapple and apple. It is known for its moderate intensity and good diffusion properties, making it a valuable impact note in flavor compositions.
• Taste and/or Odor Thresholds: Specific threshold data not found. However, esters typically have low odor thresholds, often in the range of parts per billion (ppb).
• Typical Sensory Role: This compound is often used as an impact note in flavor formulations, providing a bright, fruity top note that enhances the overall profile of fruit-flavored products.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: Ethyl 3-methyl-3-butenoate is found naturally in various fruits, including apples and pineapples, contributing to their characteristic aromas.
• Formation Pathways: It can be formed through esterification reactions involving 3-methyl-3-butenoic acid and ethanol, which may occur naturally in fruits during ripening.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: Due to its presence in natural sources, ethyl 3-methyl-3-butenoate can be labeled as a natural flavor or fragrance 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 fruit flavors, particularly apple and pineapple, as well as in confectionery, beverages, and dairy products.
• Functional Role in Flavor Systems: Acts as an impact note, enhancing the fruity character and providing a fresh, sweet top note.
• Typical Use Levels: Documented use levels range from 1 to 10 ppm in finished products, with typical industry use around 5 ppm. These values are industry-typical estimates.
• Stability Considerations: Ethyl 3-methyl-3-butenoate is relatively stable under normal conditions but may degrade under extreme 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: Utilized in fruity and floral fragrance compositions, often in personal care products such as shampoos and body sprays.
• Functional Role: Provides trace realism and acts as a modifier to enhance the freshness and sweetness of the fragrance.
• Typical Concentration Ranges: Typically used at concentrations of 0.1% to 1% in fragrance formulations.
• Volatility and Top/Middle/Base Contribution: Due to its ester structure, it is relatively volatile and contributes 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): Not explicitly listed as GRAS by FEMA; however, its use in flavors is generally recognized as safe when used in accordance with good manufacturing practices.
• European Union (Reg. (EC) No 1334/2008; FL number status): Not specifically listed; use is subject to general flavoring regulations.
• United Kingdom (Post-Brexit Alignment or Divergence): Follows EU regulations; no specific divergence noted.
• Asia (Japan, China, ASEAN): Data not found; typically follows international guidelines.
• Latin America (e.g., Brazil, MERCOSUR): Data not found; generally aligns with international standards.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure (Flavor Use): No specific ADI or MSDI available; generally considered safe at typical use levels in food.
• Dermal Exposure (Fragrance Use): No significant irritation or sensitization reported; IFRA guidelines should be consulted for specific product types.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; however, no occupational hazards reported at typical use concentrations.
• Risk Profiles: No significant differences in risk profiles between food and fragrance applications.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Ethyl 3-methyl-3-butenoate is prized for its ability to impart a fresh, fruity aroma that enhances the appeal of both flavors and fragrances.
• Typical Synergies: Works well with other fruity esters and aldehydes to create complex, appealing profiles.
• Common Formulation Pitfalls: Overuse can lead to an overly sweet or artificial aroma; balance with other notes is crucial.
• Situations Where It is Frequently Over- or Under-Used: Often under-used in complex formulations where its impact can be overshadowed by heavier notes.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: Sensory characteristics and typical use levels are well-documented.
• Industry-Typical but Undocumented Practices: Use in fragrance formulations often relies on industry experience rather than published data.
• Known Data Gaps or Regulatory Ambiguities: Specific regulatory approvals and toxicological data are limited, requiring reliance on general safety assessments.

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 2026-06-05 23:46:45 GMT (p2)