FlavScents AInsights Entry: Apple Crotonate (CAS: 35206-51-0)

1. Identity & Chemical Information

• Common Name(s): Apple Crotonate
• IUPAC Name: Ethyl 2-methylbutanoate
• CAS Number: 35206-51-0
• FEMA Number: Not available
• Other Identifiers: FL number not available; CoE number not available; IFRA reference not available
• Molecular Formula: C7H14O2
• Molecular Weight: 130.18 g/mol
• Functional Groups and Structure–Odor Relevance: Apple crotonate is an ester, a functional group known for contributing fruity and sweet notes to flavors and fragrances. The ester linkage in apple crotonate is responsible for its characteristic apple-like aroma, which is widely used in flavor formulations to impart a fresh, fruity note.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: Apple crotonate is characterized by a sweet, fruity odor reminiscent of fresh apples. It is often described as having a moderate intensity with good diffusion properties, making it suitable for both flavor and fragrance applications.
• Taste and/or Odor Thresholds: Specific thresholds are not clearly reported; however, it is typically used at low concentrations due to its potent aroma.
• Typical Sensory Role: In flavor systems, apple crotonate serves as an impact note, providing a distinct apple character. It can also act as a modifier to enhance the overall fruitiness of a formulation.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: Apple crotonate is not commonly found in nature but can be synthesized for use in flavor and fragrance applications.
• Formation Pathways: It is typically produced through esterification, a chemical reaction between an alcohol and an acid, often involving ethyl alcohol and 2-methylbutanoic acid.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: As a synthesized compound, apple crotonate may not qualify for "natural" labeling unless derived from natural sources through approved processes.

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

4. Use in Flavors

• Flavor Categories and Applications: Apple crotonate is primarily used in fruit-flavored products, including beverages, candies, and baked goods.
• Functional Role in Flavor Systems: It acts as a key impact note, providing a fresh apple flavor that enhances the overall fruit profile.
• 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: Apple crotonate 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: Apple crotonate is used in fruity and floral fragrance compositions, often in personal care products like shampoos and lotions.
• Functional Role: It serves as a modifier and impact note, adding freshness and fruitiness to fragrance blends.
• Typical Concentration Ranges: While specific quantitative ranges are not documented, it is typically used in trace amounts to achieve the desired olfactory effect.
• Volatility and Top/Middle/Base Contribution: Apple crotonate 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): Not explicitly listed as GRAS by FEMA; usage should comply with general safety standards.
• European Union (Reg. (EC) No 1334/2008; FL number status): Not specifically listed; usage should align with general flavoring regulations.
• United Kingdom (Post-Brexit Alignment or Divergence): Follows EU regulations unless specified otherwise.
• Asia (Japan, China, ASEAN): High-level regulatory information not clearly reported; compliance with local regulations is advised.
• Latin America (e.g., Brazil, MERCOSUR): Specific regulatory status not documented; general safety and labeling standards apply.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: No specific ADI or MSDI values are available; usage should be guided by general safety assessments and industry practices.
• Dermal Exposure: Limited data on irritation or sensitization; formulators should consider IFRA guidelines for similar esters.
• Inhalation Exposure: As a volatile compound, inhalation exposure should be minimized in occupational settings to avoid potential respiratory irritation.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Apple crotonate provides a distinct and recognizable apple note, enhancing the fruitiness of both flavors and fragrances.
• Typical Synergies: It blends well with other fruity esters and aldehydes to create complex fruit profiles.
• Common Formulation Pitfalls: Overuse can lead to an overpowering aroma; careful balancing with other notes is essential.
• Situations Where It is Frequently Over- or Under-Used: Often under-used in complex formulations where its impact can be masked by stronger notes.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: Basic chemical and sensory properties 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 regulatory approvals and 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 2026-07-10 13:09:37 GMT (p2)