FlavScents AInsights Entry for Methyl Octanoate (CAS: 111-11-5)

1. Identity & Chemical Information

• Common Name(s): Methyl octanoate
• IUPAC Name: Methyl octanoate
• CAS Number: 111-11-5
• FEMA Number: 2682
• Other Identifiers: FL No. 09.013
• Molecular Formula: C9H18O2
• Molecular Weight: 158.24 g/mol

Methyl octanoate is an ester formed from octanoic acid and methanol. It features a characteristic ester functional group, which is crucial for its fruity odor profile. The structure-odor relationship is significant as the ester linkage contributes to its volatility and sensory attributes, making it a valuable compound in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl octanoate is known for its fruity, waxy, and slightly floral odor, reminiscent of pineapple and cognac. It is often described as having a medium intensity with good diffusion properties. The compound serves as an impact note in formulations, providing a fresh and sweet character. While specific taste and odor thresholds are not widely documented, it is typically used in low concentrations due to its potent sensory attributes.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Methyl octanoate naturally occurs in various fruits, including pineapples and grapes, and is also found in some alcoholic beverages like cognac. It can form through enzymatic processes during fruit ripening or fermentation. Its presence in natural sources supports its designation as a "natural flavor" in certain regulatory contexts.

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

4. Use in Flavors

Methyl octanoate is utilized in a variety of flavor categories, including fruit, dairy, and alcoholic beverage flavors. It acts as a modifier and impact note, enhancing the fruity and sweet characteristics of formulations. Typical use levels in finished food or beverages range from 0.1 to 5 ppm, with industry-typical concentrations often around 1 ppm. 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, methyl octanoate is used in fruity and floral fragrance families. It serves as a trace realism component and modifier, contributing to the top and middle notes of a fragrance composition. Typical concentration ranges are from 0.01% to 0.1% in finished products. Its volatility allows it to impart a fresh, uplifting character to perfumes and personal care products.

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: Follows EU regulations post-Brexit with no significant divergence.
• Asia: Approved for use in Japan and China, with specific limits varying by country.
• Latin America: Generally accepted in Brazil and MERCOSUR countries, subject to local regulations.

Explicit approvals and harmonized assumptions are common, though specific country regulations should be verified for compliance.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, methyl octanoate is considered safe at typical flavor use levels, with no specific ADI established but generally recognized as safe under FEMA GRAS. Dermal exposure in fragrance applications is low risk, with no significant irritation or sensitization reported. Inhalation exposure is minimal due to its low volatility in typical use concentrations. Overall, the risk profile is similar across food and fragrance applications, with a wide margin of safety.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Methyl octanoate is valued for its ability to impart a fresh, fruity character to both flavors and fragrances. It synergizes well with other esters and fruity notes, enhancing the overall profile. Formulators should be cautious of its potency to avoid overpowering the blend. It is often under-used in complex formulations where its subtlety can add depth and realism.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

Data on methyl octanoate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific sensory thresholds may require further research. Regulatory ambiguities are minimal, with clear guidelines in major markets.

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 2026-09-02 20:21:37 GMT (p2)