FlavScents AInsights Entry for Methyl Hexanoate (CAS: 106-70-7)

1. Identity & Chemical Information

Methyl hexanoate, also known as methyl caproate, is a chemical compound with the IUPAC name methyl hexanoate. It is identified by the CAS number 106-70-7. The FEMA number for methyl hexanoate is 2711. Other identifiers include the FL number 09.017 and CoE number 232. The molecular formula of methyl hexanoate is C7H14O2, and it has a molecular weight of 130.19 g/mol. This compound is an ester, characterized by its functional group, which contributes to its fruity odor profile. The ester linkage in methyl hexanoate is crucial for its odor characteristics, often associated with fruity and sweet notes.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl hexanoate is known for its pleasant fruity odor, reminiscent of pineapple and apple, with a sweet, ethereal quality. It is often described as having a moderate intensity and good diffusion properties, making it a valuable component in both flavor and fragrance formulations. The taste and odor thresholds for methyl hexanoate are not widely documented, but it is typically used as an impact note in formulations to impart a fresh, fruity character.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

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

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

4. Use in Flavors

Methyl hexanoate is widely used in flavor formulations, particularly in fruit flavors such as apple, pineapple, and berry. It serves as an impact note, enhancing the fruity character and providing background realism. Typical use levels in finished food or beverage products range from 1 to 20 ppm, with industry-typical levels around 5 ppm. Methyl hexanoate 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 the fragrance industry, methyl hexanoate is used in various fragrance families, including fruity, floral, and gourmand. It acts as a modifier and impact note, contributing to the top and middle notes of a fragrance composition. Typical concentration ranges in fragrance products are from 0.1% to 1%, depending on the desired intensity and character. Its volatility makes it suitable for top and middle note applications, providing a fresh, fruity lift to compositions.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, methyl 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 the FL number 09.017. The United Kingdom follows similar regulations post-Brexit. In Asia, including Japan and China, methyl hexanoate is generally accepted for use in flavors, though specific regulations may vary. In Latin America, countries like Brazil and those in MERCOSUR typically align with international standards, but local regulations should be verified.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Methyl hexanoate is considered safe for use in flavors and fragrances at typical exposure levels. For oral exposure, it has a high margin of safety, with no specific ADI or MSDI established, but it is generally recognized as safe under FEMA GRAS. Dermal exposure in fragrance applications is not associated with significant irritation or sensitization, aligning with IFRA guidelines. Inhalation exposure is minimal due to its low volatility, but occupational exposure should be managed with standard safety practices.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Methyl 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 profile. Formulators should be cautious of its volatility and potential degradation under extreme conditions. 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

The data on methyl hexanoate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific use levels may vary. Known data gaps include precise taste and odor thresholds, which are not widely reported but can be inferred from industry usage patterns.

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 2026-05-27 06:47:37 GMT (p2)