FlavScents AInsights Entry for Ethyl Hexanoate (CAS: 123-66-0)

1. Identity & Chemical Information

Ethyl hexanoate, also known as ethyl caproate, is a chemical compound with the IUPAC name ethyl hexanoate. It is identified by the CAS number 123-66-0 and has a FEMA number of 2430. Other identifiers include its FL number and CoE number, which are used in various regulatory contexts. The molecular formula for ethyl hexanoate is C8H16O2, and it has a molecular weight of 144.21 g/mol. This ester is characterized by its functional groups, which include an ester linkage that contributes to its fruity odor profile. The structure-odor relevance is significant as the ester group is known for imparting sweet, fruity notes, commonly associated with apple and pineapple aromas.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Ethyl hexanoate is renowned for its pleasant fruity aroma, often described as reminiscent of apple, pineapple, and banana. It exhibits a moderate to high intensity and has good diffusion properties, making it a popular choice in both flavor and fragrance applications. The taste and odor thresholds for ethyl hexanoate are not clearly reported in the literature, but it is typically used as an impact note in formulations, providing a distinct fruity character that enhances the overall sensory experience.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Ethyl hexanoate naturally occurs in various fruits, including apples, pineapples, and bananas, contributing to their characteristic aromas. It is formed through enzymatic esterification processes in fruits, where hexanoic acid reacts with ethanol. This compound is relevant to the "natural flavor" designation as it can be derived from natural sources through fermentation or extraction processes, aligning with consumer preferences for natural ingredients.

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

4. Use in Flavors

In the flavor industry, ethyl hexanoate is used across a wide range of applications, including beverages, confectionery, and baked goods. It serves as a key component in fruit flavor formulations, particularly for apple and pineapple profiles. Typical use levels in finished food products range from 0.1 to 5 ppm, with variations depending on the desired intensity and product matrix. Ethyl hexanoate is generally stable under normal processing conditions, but it 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

Ethyl hexanoate is utilized in various fragrance families, including fruity, floral, and gourmand compositions. It acts as a modifier or impact note, providing a fresh, fruity top note that enhances the overall fragrance profile. Typical concentration ranges in fragrance formulations are from trace amounts to 1%, depending on the desired effect and product type. Its volatility makes it suitable for top and middle note applications, contributing to the initial impression of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, ethyl hexanoate is recognized as GRAS (Generally Recognized As Safe) by FEMA for flavor use. In the European Union, it is approved under Regulation (EC) No 1334/2008 and assigned an FL number. The United Kingdom follows similar regulations post-Brexit. In Asia, including Japan and China, ethyl hexanoate is permitted for use in flavors, although specific regulations may vary. In Latin America, countries like Brazil and those in MERCOSUR also allow its use, with harmonized assumptions across the region.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Ethyl hexanoate is considered safe for oral exposure in flavor applications, with an acceptable daily intake (ADI) not clearly reported but generally recognized as safe at typical use levels. For dermal exposure in fragrances, it is not known to cause irritation or sensitization, aligning with IFRA guidelines. Inhalation exposure is generally considered low risk due to its volatility and typical use concentrations. The risk profiles for food and fragrance applications do not significantly differ, provided that usage guidelines are followed.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Ethyl hexanoate is valued for its ability to impart a fresh, fruity character to both flavors and fragrances. It synergizes well with other esters and fruity compounds, enhancing the overall sensory profile. Formulators should be cautious of its volatility and potential degradation under extreme conditions. It is frequently under-used in complex formulations where its impact can be overshadowed by more dominant notes.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on ethyl hexanoate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, although specific numeric values for thresholds and ADI are not always clearly reported. Known data gaps include detailed toxicological studies, which are typically extrapolated from similar compounds.

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 2026-09-04 03:10:49 GMT (p2)