FlavScents AInsights Entry for 2-Methyl Butyl Valerate (CAS: 55590-83-5)

1. Identity & Chemical Information

• Common Name(s): 2-Methyl Butyl Valerate
• IUPAC Name: Pentanoic acid, 2-methylbutyl ester
• CAS Number: 55590-83-5
• FEMA Number: Data not found
• Other Identifiers: FL number not clearly reported; CoE number not found; IFRA reference not applicable
• Molecular Formula: C10H20O2
• Molecular Weight: 172.27 g/mol
• Functional Groups and Structure–Odor Relevance: This compound is an ester, which typically contributes fruity and sweet notes to flavors and fragrances. The ester linkage is crucial for its olfactory properties, often imparting a pleasant, fruity aroma.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

2-Methyl butyl valerate is characterized by its fruity, apple-like odor with a sweet, slightly floral undertone. It is often described as having a moderate intensity and good diffusion, making it suitable for use as an impact note in flavor compositions. The taste threshold is not clearly reported, but it is generally used to impart a fresh, fruity character in flavor applications.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

2-Methyl butyl valerate is not commonly found in nature but can be synthesized through esterification processes involving valeric acid and 2-methylbutanol. It is not typically associated with natural flavor or fragrance designations due to its synthetic origin. However, it can be used in formulations labeled as "nature-identical" in some regulatory contexts.

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

4. Use in Flavors

This compound is primarily used in fruit-flavored applications, such as apple, pear, and tropical fruit profiles. It serves as an impact note, providing a fresh, fruity character. Typical use levels in finished food or beverage products range from 1 to 10 ppm, with higher concentrations potentially leading to an overpowering effect. It is relatively 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, 2-methyl butyl valerate is used in fruity and floral compositions, contributing to the top and middle notes. It acts as a modifier, enhancing the freshness and realism of the fragrance. Typical concentration ranges are from trace amounts to 0.5% in the final product, depending on the desired intensity and character. Its volatility makes it suitable for top note applications.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed as FEMA GRAS; typically used under general flavoring principles.
• European Union: Not specifically listed under Reg. (EC) No 1334/2008; may be used under general flavoring guidelines.
• United Kingdom: Follows EU regulations post-Brexit; no specific divergence noted.
• Asia: Limited specific data; generally follows international flavoring guidelines.
• Latin America: Data not clearly reported; typically aligns with international standards.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: No specific ADI or MSDI reported; generally considered safe at typical flavor use levels.
• Dermal Exposure: Limited data on irritation or sensitization; not typically used in high concentrations in fragrances.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; no specific occupational hazards reported.

Overall, the risk profile does not significantly differ between food and fragrance applications, assuming typical use levels.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

2-Methyl butyl valerate 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 potential to dominate a composition if used excessively. 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 2-methyl butyl valerate is well-established in terms of its sensory profile and typical use levels. However, specific regulatory and toxicological data are less documented, relying on industry-typical practices and assumptions. Known data gaps include detailed toxicological studies and specific regulatory approvals in certain regions.

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 2026-06-23 01:25:16 GMT (p2)