FlavScents AInsights Entry for Methyl Isobutyrate (CAS: 547-63-7)

1. Identity & Chemical Information

• Common Name(s): Methyl isobutyrate
• IUPAC Name: Methyl 2-methylpropanoate
• CAS Number: 547-63-7
• FEMA Number: 2743
• Other Identifiers: FL No. 09.017
• Molecular Formula: C5H10O2
• Molecular Weight: 102.13 g/mol

Methyl isobutyrate is an ester characterized by its fruity odor, which is attributed to its ester functional group. The structure of methyl isobutyrate, with its methyl and isobutyl groups, contributes to its volatility and odor profile, making it relevant in both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl isobutyrate is known for its pleasant, fruity aroma reminiscent of apples and pineapples. It is often described as having a sweet, ester-like scent with moderate intensity and good diffusion. The compound is typically used as an impact note in formulations, providing a fresh and uplifting character. While specific taste and odor thresholds are not widely documented, its sensory role is primarily as a top note in both flavor and fragrance compositions.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Methyl isobutyrate occurs naturally in various fruits, including apples and pineapples, contributing to their characteristic aromas. It can be formed through esterification reactions involving isobutyric acid and methanol. This compound is often used in products labeled as "natural flavor" due to its presence in natural sources, although synthetic production is common for commercial use.

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

4. Use in Flavors

Methyl isobutyrate is utilized in a variety of flavor categories, including fruit, confectionery, and beverage applications. It serves as a key component in creating apple and pineapple flavors, often used to enhance the fruity notes in these profiles. Typical use levels in finished food or beverage products range from 1 to 50 ppm, with higher concentrations potentially leading to overpowering effects. 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 the fragrance industry, methyl isobutyrate is employed in fruity and floral compositions, contributing to the top notes of perfumes and personal care products. It acts as a modifier, enhancing the freshness and brightness of the fragrance. Typical concentration ranges in formulations are from 0.1% to 1%, depending on the desired intensity. Its volatility makes it suitable for top note applications, providing an initial burst of fragrance.

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 09.017.
• 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 exist for flavor use, with harmonized assumptions across regions. However, country-specific regulations may vary, particularly in fragrance applications.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, methyl isobutyrate is considered safe within the typical use levels in food, with no specific ADI established but generally recognized as safe by FEMA. Dermal exposure in fragrance applications is low risk, with no significant irritation or sensitization reported. Inhalation exposure is minimal due to its rapid volatility, but occupational exposure should be monitored to prevent overexposure. The risk profiles are similar for both food and fragrance applications, with no significant differences noted.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Methyl isobutyrate is valued for its ability to impart a fresh, fruity character to both flavors and fragrances. It synergizes well with other esters and fruity compounds, enhancing the overall profile. Formulators should be cautious of its volatility, which can lead to rapid evaporation if not properly encapsulated. It is often under-used in complex formulations where its impact can be overshadowed by heavier notes.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on methyl isobutyrate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific sensory thresholds are less frequently reported. Known data gaps include detailed toxicological studies specific to inhalation exposure, which are limited.

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 2026-03-27 05:41:07 GMT (p2)