FlavScents AInsights Entry: Propyl Hexanoate (CAS: 626-77-7)

1. Identity & Chemical Information

• Common Name(s): Propyl hexanoate
• IUPAC Name: Propyl hexanoate
• CAS Number: 626-77-7
• FEMA Number: 2931
• Other Identifiers: FL No. 09.271
• Molecular Formula: C9H18O2
• Molecular Weight: 158.24 g/mol

Propyl hexanoate is an ester formed from hexanoic acid and propanol. Its structure features a carboxylate ester functional group, which is crucial for its fruity odor profile. The ester linkage contributes to its volatility and sensory characteristics, making it a valuable compound in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Propyl hexanoate is characterized by a fruity, pineapple-like odor with a sweet, slightly waxy undertone. It is often described as having a medium intensity and good diffusion, making it suitable for use as an impact note in formulations. The compound's taste threshold is not well-documented, but its odor threshold is typically low, allowing it to impart a noticeable aroma even at low concentrations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Propyl hexanoate occurs naturally in various fruits, including apples and pineapples, contributing to their characteristic aromas. It can also be formed through esterification reactions in nature, where hexanoic acid reacts with propanol. This compound is often used to enhance "natural flavor" profiles in food products due to its presence in natural sources.

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

4. Use in Flavors

Propyl hexanoate is widely used in flavor formulations, particularly in fruit-flavored products such as beverages, candies, and baked goods. It serves as an impact note, providing a distinct pineapple-like aroma. Typical use levels in finished products range from 1 to 10 ppm, with higher concentrations potentially leading to an overpowering aroma. The compound is relatively stable under typical food 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, propyl hexanoate is used in various product types, including perfumes, personal care products, and household items. It contributes to fruity and tropical fragrance families, often serving as a modifier or impact note. Its volatility allows it to function primarily as a top note, with typical concentrations ranging from trace amounts to 0.5% in formulations.

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 09.271.
• United Kingdom: Follows 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.

Propyl hexanoate is widely accepted for both flavor and fragrance applications, with harmonized regulations across major markets. However, formulators should verify specific regional requirements to ensure compliance.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, propyl hexanoate is considered safe at typical use levels, with an acceptable daily intake (ADI) not specifically established but implied through GRAS status. Dermal exposure in fragrance applications is generally safe, with low irritation and sensitization potential, as supported by IFRA guidelines. Inhalation exposure is minimal due to its low volatility at ambient temperatures, but occupational exposure should be managed with standard safety practices.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Propyl hexanoate is valued for its ability to impart a fresh, fruity aroma, enhancing the sensory appeal of both flavors and fragrances. It synergizes well with other esters and fruity notes, but care should be taken to avoid overuse, which can lead to an artificial or cloying effect. Formulators often use it to add complexity and authenticity to fruit profiles.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on propyl hexanoate is well-established, with comprehensive sensory and regulatory information available. While specific numeric thresholds for taste are not well-documented, industry practices provide reliable guidance for its use. Some regional regulatory nuances may exist, requiring careful verification.

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 2026-02-04 12:44:51 GMT (p2)