FlavScents AInsights Entry for Isoamyl Hexanoate (CAS: 2198-61-0)

1. Identity & Chemical Information

• Common Name(s): Isoamyl hexanoate
• IUPAC Name: 3-Methylbutyl hexanoate
• CAS Number: 2198-61-0
• FEMA Number: 2062
• Other Identifiers: FL number 09.034
• Molecular Formula: C11H22O2
• Molecular Weight: 186.29 g/mol

Isoamyl hexanoate is an ester compound characterized by its fruity aroma, often associated with banana and pear notes. The ester functional group is crucial for its odor profile, contributing to its volatility and sensory impact.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Isoamyl hexanoate is known for its strong, sweet, and fruity odor reminiscent of banana and pear. It is often used as an impact note in flavor compositions due to its high intensity and diffusion. The compound's odor threshold is relatively low, making it effective even at minimal concentrations. It serves as a key modifier in both flavor and fragrance formulations, enhancing the overall sensory experience.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Isoamyl hexanoate naturally occurs in various fruits, including apples and pears, contributing to their characteristic aromas. It can also be formed through esterification processes involving isoamyl alcohol and hexanoic acid. This compound is often used in "natural flavor" designations due to its presence in natural sources and its ability to be synthesized through natural processes.

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

4. Use in Flavors

Isoamyl hexanoate is widely used in flavor formulations, particularly in fruit-flavored products such as candies, beverages, and baked goods. It acts as an impact note, providing a strong fruity character. Typical use levels in finished products range from 1 to 10 ppm, with higher concentrations potentially leading to overpowering effects. The compound is stable under typical processing conditions but may degrade under extreme heat or acidic environments.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, isoamyl hexanoate is used in fruity and floral compositions, contributing to the top and middle notes. It is valued for its ability to impart a fresh, sweet aroma that enhances the realism of fruit accords. Typical concentrations in fragrance products range from 0.1% to 1%, depending on the desired intensity and product type. Its volatility makes it suitable for use in perfumes, body sprays, and air fresheners.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Recognized as GRAS by FEMA for flavor use.
• European Union: Approved under Regulation (EC) No 1334/2008 with FL number 09.034.
• United Kingdom: Aligns with EU regulations post-Brexit.
• Asia: Approved for use in Japan and China, with specific concentration limits.
• Latin America: Generally accepted in Brazil and MERCOSUR countries, subject to local regulations.

Isoamyl hexanoate is widely accepted across major markets, with harmonized assumptions in place. However, formulators should verify specific regional requirements to ensure compliance.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Isoamyl hexanoate is considered safe for use in food and fragrance applications at typical exposure levels.

• Oral Exposure: The compound has a high margin of safety with an ADI not specifically established but considered safe under GRAS conditions.
• Dermal Exposure: Generally non-irritating and non-sensitizing at typical fragrance concentrations. IFRA guidelines should be consulted for specific product types.
• Inhalation Exposure: Low volatility reduces occupational exposure risks, but standard ventilation practices are recommended in manufacturing settings.

The risk profiles for food and fragrance applications are similar, with no significant differences noted.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Isoamyl hexanoate is a valuable material for its potent fruity aroma, making it a staple in both flavor and fragrance formulations. It synergizes well with other esters and fruity compounds, enhancing the overall profile. Formulators should be cautious of its intensity, as overuse can lead to an artificial or cloying effect. It is often under-utilized in complex formulations where subtlety is required.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on isoamyl hexanoate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific use levels may vary by application. No significant data gaps or regulatory ambiguities are noted.

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 2026-02-23 17:57:50 GMT (p2)