FlavScents AInsights Entry for 3-Hexenyl 2-Methyl Butyrate (CAS: 10094-41-4)

1. Identity & Chemical Information

• Common Name(s): 3-Hexenyl 2-methyl butyrate
• IUPAC Name: 3-Hexenyl 2-methylbutanoate
• CAS Number: 10094-41-4
• FEMA Number: Data not found
• Other Identifiers: FL number not clearly reported; CoE number not available; IFRA reference not specified
• Molecular Formula: C11H20O2
• Molecular Weight: 184.28 g/mol

3-Hexenyl 2-methyl butyrate is an ester compound characterized by its fruity and green odor profile. The ester functional group is crucial for its odor characteristics, contributing to its use in flavor and fragrance applications. The structure-odor relationship is primarily influenced by the hexenyl chain, which imparts a fresh, green note, while the butyrate moiety adds a fruity aspect.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3-Hexenyl 2-methyl butyrate is known for its distinctive fruity and green odor, often described as reminiscent of fresh-cut grass and apples. It has a moderate intensity and good diffusion, making it suitable for both flavor and fragrance applications. The compound serves as an impact note in formulations, providing a fresh and natural character. Specific taste and odor thresholds are not clearly reported, but it is typically used at low concentrations to achieve the desired sensory effect.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound is naturally found in various fruits, contributing to their characteristic aromas. It can be formed through enzymatic reactions in plants, where it acts as a volatile organic compound involved in plant communication and defense. Its presence in natural sources supports its designation as a "natural flavor" or "natural fragrance" under certain regulatory frameworks.

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

4. Use in Flavors

3-Hexenyl 2-methyl butyrate is widely used in flavor formulations, particularly in fruit flavors such as apple, pear, and tropical blends. It functions as an impact note, enhancing the freshness and authenticity of the flavor profile. Typical use levels in finished food or beverage products range from 0.5 to 5 ppm, with variations depending on the specific application and desired intensity. The compound 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 the fragrance industry, 3-hexenyl 2-methyl butyrate is used in various fragrance families, including green, fruity, and floral compositions. It acts as a modifier, adding freshness and a natural green note to the fragrance. Typical concentration ranges in formulations are from trace amounts to 0.5%, depending on the desired effect. The compound contributes primarily to the top and middle notes due to its moderate volatility.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

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

Explicit approvals are limited, and harmonized assumptions are often applied. Known uncertainties exist due to the lack of specific listings in some regions.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Data not found for specific ADI or MSDI; generally considered safe at typical flavor use levels.
• Dermal Exposure: Limited data on irritation or sensitization; IFRA guidelines should be consulted for fragrance use.
• Inhalation Exposure: Moderate volatility suggests potential for inhalation exposure; occupational safety measures should be considered.

Risk profiles may differ between food and fragrance applications, with more stringent evaluations typically applied to dermal and inhalation routes in fragrance use.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

3-Hexenyl 2-methyl butyrate is valued for its ability to impart a fresh, green, and fruity character to both flavors and fragrances. It synergizes well with other fruity and green notes, enhancing the overall freshness and authenticity of the formulation. Common pitfalls include overuse, which can lead to an overly green or artificial profile. It is often under-used in complex formulations where its subtlety can enhance the overall balance.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3-hexenyl 2-methyl butyrate is well-established in terms of its sensory profile and typical use in formulations. However, specific regulatory listings and toxicological data are less documented, leading to reliance on industry-typical practices and assumptions. Known data gaps include specific ADI values and comprehensive regional regulatory approvals.

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 2026-11-09 08:52:21 GMT (p2)