FlavScents AInsights Entry for Allyl Hexanoate (CAS: 123-68-2)

1. Identity & Chemical Information

• Common Name(s): Allyl hexanoate
• IUPAC Name: Prop-2-en-1-yl hexanoate
• CAS Number: 123-68-2
• FEMA Number: 2032
• Other Identifiers: FL No. 09.013
• Molecular Formula: C9H16O2
• Molecular Weight: 156.23 g/mol

Allyl hexanoate is an ester compound characterized by its allyl group and hexanoate moiety. The ester functional group is crucial for its fruity odor profile, often associated with pineapple-like notes. The structure-odor relationship is primarily influenced by the length of the carbon chain and the presence of the allyl group, which contributes to its volatility and sensory impact.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Allyl hexanoate is renowned for its strong, sweet, and fruity odor reminiscent of pineapple. It is often described as having a high intensity and excellent diffusion, making it a potent impact note in flavor compositions. The taste threshold is relatively low, allowing it to impart noticeable flavor at minimal concentrations. Its primary sensory role is as an impact note, providing a distinct and recognizable pineapple character.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Allyl hexanoate is naturally found in various fruits, including pineapples and apples, contributing to their characteristic aromas. It can form through esterification reactions involving allyl alcohol and hexanoic acid. In the context of "natural flavor" designation, allyl hexanoate can be derived from natural sources or synthesized to mimic its natural occurrence.

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

4. Use in Flavors

Allyl hexanoate is extensively used in flavor formulations, particularly in fruit-flavored products such as beverages, candies, and desserts. It serves as a key impact note in pineapple and tropical fruit flavors. Typical use levels in finished food products range from 0.1 to 5 ppm, with industry-typical concentrations around 1 ppm. It is relatively stable under acidic conditions but may degrade under high heat or oxidative environments.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, allyl hexanoate is utilized in fruity and tropical fragrance families. It acts as a modifier and impact note, providing a fresh and sweet pineapple aroma. Typical concentration ranges in fragrance formulations are from trace amounts to 0.5%, depending on the desired intensity. Its volatility contributes to its role as a top note, offering an initial burst of freshness.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Recognized as GRAS by FEMA for flavor use.
• European Union: Listed under Regulation (EC) No 1334/2008 with FL No. 09.013.
• 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.

Explicit approvals exist for flavor use, with harmonized assumptions across regions. However, country-specific variability may occur, particularly in fragrance applications.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, allyl hexanoate is considered safe within established use levels, with an acceptable daily intake (ADI) not clearly reported but generally recognized as safe under FEMA GRAS. Dermal exposure in fragrance use may pose irritation or sensitization risks, necessitating adherence to IFRA guidelines. Inhalation exposure is typically low risk due to its volatility and rapid dispersion, but occupational safety measures should be observed.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Allyl hexanoate is valued for its potent and authentic pineapple aroma, making it indispensable in tropical flavor profiles. It synergizes well with other esters and fruity compounds. Formulators should be cautious of its high intensity, which can lead to overuse. Balancing its concentration is crucial to avoid overpowering other flavor notes.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

Data on allyl hexanoate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though some regional regulatory nuances may require further verification. Known data gaps are minimal, primarily concerning specific toxicological thresholds.

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

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 2026-07-06 23:02:51 GMT (p2)