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 number 02.015
• Molecular Formula: C9H16O2
• Molecular Weight: 156.22 g/mol

Allyl hexanoate is an ester compound characterized by its allyl group and hexanoate moiety. The presence of the allyl group contributes to its fruity and pineapple-like odor, which is significant in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Allyl hexanoate is known for its strong, sweet, and fruity aroma reminiscent of pineapple. It is often described as having a tropical fruit character with a high intensity and good diffusion. The compound is primarily used as an impact note in flavor formulations, providing a distinct and recognizable pineapple scent.

Taste and odor thresholds for allyl hexanoate are not widely documented, but its potent aroma suggests that it is effective at low concentrations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Allyl hexanoate occurs naturally in certain fruits, including pineapples, where it contributes to their characteristic aroma. It can also be formed through esterification processes involving allyl alcohol and hexanoic acid.

In the context of "natural flavor" designation, allyl hexanoate can be considered natural if derived from natural sources or through natural processes.

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

4. Use in Flavors

Allyl hexanoate is extensively used in flavor formulations, particularly in tropical fruit flavors such as pineapple, mango, and passion fruit. It serves as a key impact note, enhancing the fruity profile of these flavors.

Typical use levels in food and beverages range from 0.1 to 5 ppm, depending on the desired intensity and the specific application. It is important to consider its stability, as allyl hexanoate can be sensitive to heat and acidic conditions, which may lead to degradation.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, allyl hexanoate is used to impart a fresh, fruity note to various fragrance families, including fruity, floral, and gourmand. It acts as a modifier and impact note, providing a top note that is both volatile and distinctive.

Typical concentration ranges in fragrance formulations are from trace amounts up to 0.5%, depending on the desired effect and product type.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Allyl hexanoate is approved for use as a flavoring agent under FEMA GRAS status.
• European Union: It is listed under Regulation (EC) No 1334/2008 with an assigned FL number.
• United Kingdom: Regulatory status aligns with the EU post-Brexit.
• Asia: In Japan and China, allyl hexanoate is permitted for use in flavors, subject to local regulations.
• Latin America: Generally recognized as safe for use in flavors, with specific regulations varying by country.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, allyl hexanoate is considered safe at the levels typically used in food and beverages, with a favorable margin of safety. Dermal exposure in fragrance applications is generally low risk, but it is important to adhere to IFRA guidelines to prevent irritation or sensitization. Inhalation exposure is minimal due to its low volatility in typical use concentrations.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Allyl hexanoate is valued for its ability to impart a strong, authentic pineapple note. It synergizes well with other fruity esters and can be used to enhance the overall fruitiness of a formulation. Formulators should be cautious of its potency to avoid overpowering the blend and should consider its stability under various processing conditions.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on allyl hexanoate is well-established, with comprehensive documentation available from authoritative sources. While industry practices are generally consistent, some variability in use levels and regulatory interpretations may exist.

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 2026-06-02 12:53:11 GMT (p2)