FlavScents AInsights Entry for Pentanoic Acid, 3-Methyl-2-Oxo-, Ethyl Ester (CAS: 26516-27-8)

1. Identity & Chemical Information

• Common Name(s): Ethyl 3-methyl-2-oxopentanoate
• IUPAC Name: Ethyl 3-methyl-2-oxopentanoate
• CAS Number: 26516-27-8
• FEMA Number: Data not found
• Other Identifiers: Data not found
• Molecular Formula: C8H14O3
• Molecular Weight: 158.20 g/mol

Ethyl 3-methyl-2-oxopentanoate is an ester compound characterized by its functional groups, which include an ester linkage and a ketone group. These functional groups contribute to its distinctive odor profile, which is often leveraged in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Ethyl 3-methyl-2-oxopentanoate is known for its fruity, sweet, and slightly green odor profile. It is often described as having a pineapple-like aroma with nuances of apple and pear. The compound's intensity is moderate, making it suitable for use as a background note or modifier in complex formulations. Specific taste and odor thresholds are not clearly reported in the literature, but its sensory role typically involves enhancing the fruity character of a formulation.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound is not commonly found in nature but can be synthesized through esterification processes involving 3-methyl-2-oxopentanoic acid and ethanol. It is not typically associated with "natural flavor" or "natural fragrance" designations due to its synthetic origin. However, its structural similarity to naturally occurring esters allows it to mimic natural fruity aromas effectively.

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

4. Use in Flavors

Ethyl 3-methyl-2-oxopentanoate is utilized in various flavor categories, including fruit, confectionery, and beverage applications. It serves as a functional modifier, enhancing the fruity and sweet notes of a formulation. Typical use levels in finished food or beverage products range from 1 to 10 ppm, with higher concentrations potentially leading to an overpowering aroma. The compound is generally stable under typical processing conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, ethyl 3-methyl-2-oxopentanoate is used in fruity and floral fragrance families. It acts as a trace realism enhancer or modifier, contributing to the top and middle notes of a fragrance composition. Typical concentration ranges are qualitative, with usage often dictated by the desired intensity and character of the final product. Its volatility allows it to contribute effectively to the initial impression of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed as FEMA GRAS; usage should comply with general safety guidelines.
• European Union: Not specifically listed under Regulation (EC) No 1334/2008; assumed to be used under general flavoring guidelines.
• United Kingdom: Post-Brexit regulations align with EU standards; no specific divergence noted.
• Asia: Limited specific data; usage should align with general flavor and fragrance safety standards.
• Latin America: Data not found; assumed to follow general international safety practices.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: No specific ADI or MSDI values reported; usage should be guided by general safety assessments and industry practices.
• Dermal Exposure: No specific data on irritation or sensitization; formulators should consider IFRA guidelines for similar esters.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be in place.

Risk profiles may vary between food and fragrance applications, with fragrance use potentially requiring more stringent safety assessments due to dermal and inhalation exposure routes.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Ethyl 3-methyl-2-oxopentanoate is valued for its ability to impart a natural fruity aroma to both flavors and fragrances. It synergizes well with other esters and fruity compounds, enhancing the overall complexity of a formulation. Common pitfalls include overuse, which can lead to an artificial or cloying aroma. It is often under-utilized in formulations seeking a subtle, natural fruitiness.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on ethyl 3-methyl-2-oxopentanoate is well-established in terms of its chemical identity and sensory profile. However, specific regulatory and toxicological data are less documented, requiring formulators to rely on industry-typical practices and safety assessments. Known data gaps include specific regulatory approvals and detailed toxicological studies.

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 2026-06-15 00:54:42 GMT (p2)