FlavScents AInsights Entry for Methyl 2-Methyl Butyrate (CAS: 868-57-5)

1. Identity & Chemical Information

• Common Name(s): Methyl 2-methyl butyrate
• IUPAC Name: Methyl 2-methylbutanoate
• CAS Number: 868-57-5
• FEMA Number: 2713
• Other Identifiers: FL No. 09.016
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16 g/mol

Methyl 2-methyl butyrate is an ester characterized by its fruity aroma, which is attributed to its ester functional group. The structure-odor relationship is significant as the ester linkage contributes to its volatility and characteristic scent profile, making it a valuable compound in flavor and fragrance formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl 2-methyl butyrate is known for its pleasant, fruity odor reminiscent of apples and pineapples. It is often described as having a sweet, ester-like aroma with moderate intensity and good diffusion. The compound serves as an impact note in flavor compositions, providing a fresh and juicy character. While specific taste and odor thresholds are not widely documented, it is typically used in low concentrations to achieve the desired sensory effect.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Methyl 2-methyl butyrate occurs naturally in various fruits, including apples, pineapples, and strawberries. It is formed through enzymatic esterification processes in fruits, where alcohols and acids react to produce esters. This compound is often used to enhance the "natural flavor" designation in products due to its presence in natural sources.

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

4. Use in Flavors

Methyl 2-methyl butyrate is widely used in flavor formulations, particularly in fruit-flavored products such as beverages, candies, and baked goods. It functions as a key impact note, providing a fresh and fruity character. Typical use levels in finished food products range from 1 to 20 ppm, with higher concentrations potentially leading to an overpowering effect. The compound is 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 the fragrance industry, methyl 2-methyl butyrate is used in various fragrance families, including fruity and floral compositions. It acts as a modifier or impact note, contributing to the top notes of a fragrance with its volatile and fresh character. Typical concentrations in fragrance formulations range from trace amounts to 1%, depending on the desired intensity and product type.

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 09.016.
• United Kingdom: Aligns with EU regulations post-Brexit.
• Asia: Approved for use in Japan and China, with specific regulations varying by country.
• Latin America: Generally accepted, with specific approvals in Brazil and MERCOSUR countries.

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

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Methyl 2-methyl butyrate is considered safe for use in food and fragrance applications at typical exposure levels. Oral exposure through flavor use is supported by GRAS status, with no specific ADI or MSDI established. Dermal exposure in fragrances is generally low risk, with no significant irritation or sensitization reported. Inhalation exposure is minimal due to its low volatility and typical use concentrations. Overall, the risk profile is similar across food and fragrance applications.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Methyl 2-methyl butyrate 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 overuse, which can lead to an artificial or overpowering scent. It is often under-utilized in complex formulations where subtlety is required.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on methyl 2-methyl butyrate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific numeric thresholds for sensory perception may be less defined. Known data gaps are minimal, with regulatory ambiguities primarily related to regional variations.

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 2026-04-14 23:57:17 GMT (p2)