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. 09.018
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16 g/mol

Methyl 2-methyl butyrate is an ester compound characterized by its fruity aroma, which is primarily attributed to its ester functional group. The structure of this compound contributes significantly to its odor profile, making it a valuable component in flavor and fragrance formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl 2-methyl butyrate is known for its sweet, fruity odor reminiscent of apples and pineapples. It exhibits a moderate intensity and good diffusion, making it an effective impact note in both flavor and fragrance applications. The compound's sensory role often involves enhancing the fruity character of a formulation or providing a realistic background note.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Methyl 2-methyl butyrate naturally occurs in various fruits, including apples and pineapples. It can be formed through esterification processes in nature, where alcohols and acids react enzymatically. This compound is often used to impart a "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 candies, beverages, and desserts. It serves as an impact note, enhancing the fruity profile of these products. Typical use levels range from 1 to 50 ppm in finished food or beverage products, with stability considerations including moderate resistance to heat and pH variations.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, methyl 2-methyl butyrate is utilized in fruity and floral fragrance families. It acts as a modifier or impact note, contributing to the top notes of a fragrance composition. Typical concentration ranges are from trace amounts to 0.5% in the final product, with its volatility making it a prominent top note.

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 an assigned FL number.
• United Kingdom: Follows EU regulations post-Brexit.
• Asia: Approved for use in Japan and China, with specific regulations in ASEAN countries.
• Latin America: Generally accepted in Brazil and MERCOSUR countries, subject to local regulations.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, methyl 2-methyl butyrate is considered safe within the typical use levels, with an acceptable daily intake (ADI) not specifically established but deemed low risk. Dermal exposure in fragrance applications shows low irritation potential, aligning with IFRA guidelines. Inhalation exposure is minimal due to its low volatility, with occupational exposure considered safe under standard conditions.

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 formulations. It synergizes well with other esters and fruity notes, but care should be taken to avoid overuse, which can lead to an artificial or overpowering scent. It is often underutilized 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 some regional regulatory nuances may require further 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 2026-08-21 09:26:38 GMT (p2)