FlavScents AInsights Entry: 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. 09.008
• Molecular Formula: C9H16O2
• Molecular Weight: 156.23 g/mol
• Functional Groups and Structure–Odor Relevance: Allyl hexanoate is an ester, characterized by its fruity and pineapple-like aroma. 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

Allyl hexanoate is renowned for its strong, fruity aroma reminiscent of pineapple, with sweet and tropical nuances. It is often described as having a high intensity and excellent diffusion, making it a potent impact note in formulations. The odor threshold is relatively low, allowing it to be effective in small concentrations. Its primary role in sensory applications 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 also be formed through esterification processes in nature, where hexanoic acid reacts with allyl alcohol. This compound is often used in "natural flavor" designations due to its occurrence in natural sources, although synthetic production is common for commercial use.

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

4. Use in Flavors

Allyl hexanoate is widely 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 higher concentrations potentially leading to overpowering effects. It is relatively stable under normal processing conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, allyl hexanoate is used to impart fruity and tropical notes, often in perfumes and personal care products. It is commonly found in the fruity fragrance family and serves as a modifier or impact note. Typical concentration ranges in formulations are from trace amounts to 0.5%, depending on the desired intensity. Its volatility allows it to contribute primarily to the top notes of a fragrance composition.

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 09.008.
• 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 and harmonized assumptions are common, though specific concentration limits may vary by region.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Allyl hexanoate has a high margin of safety when used within recommended limits. The ADI is not explicitly defined, but typical use levels are considered safe.
• Dermal Exposure: Generally non-irritating at typical fragrance concentrations, though IFRA guidelines should be consulted for specific product types.
• Inhalation Exposure: Low volatility reduces inhalation risk, but occupational exposure should be monitored in manufacturing settings.

Risk profiles are similar for both food and fragrance applications, with no significant differences noted.

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 a staple in tropical flavor and fragrance formulations. It synergizes well with other esters and fruity notes, enhancing overall complexity. Formulators should be cautious of its high intensity, as overuse can lead to an overpowering effect. It is often under-utilized in non-fruity applications where a subtle tropical hint could add depth.

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, with most information supported by authoritative sources.

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 2026-02-04 20:57:48 GMT (p2)