FlavScents AInsights Entry for Acetyl Isovaleryl (CAS: 13706-86-0)

1. Identity & Chemical Information

• Common Name(s): Acetyl Isovaleryl
• IUPAC Name: 3-methylbutanoyl acetate
• CAS Number: 13706-86-0
• FEMA Number: Data not found
• Other Identifiers: FL number not clearly reported; CoE number not found; IFRA reference not available
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17 g/mol
• Functional Groups and Structure–Odor Relevance: Acetyl isovaleryl is characterized by its ester functional group, which is often associated with fruity and sweet odor profiles. The presence of the isovaleryl moiety contributes to its distinct olfactory characteristics, making it relevant in both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: Acetyl isovaleryl is known for its fruity, sweet, and slightly balsamic odor. It is often described as having a pear-like aroma with nuances of apple and banana.
• Taste and/or Odor Thresholds: Specific thresholds are not clearly reported in the literature.
• Typical Sensory Role: This compound is typically used as an impact note in flavor formulations, providing a fruity and sweet character that enhances the overall profile of the product.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: Acetyl isovaleryl is not commonly found in nature and is primarily synthesized for use in flavor and fragrance applications.
• Formation Pathways: It is typically produced through esterification processes involving acetic acid and isovaleric acid derivatives.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: Due to its synthetic origin, acetyl isovaleryl is not typically classified as a natural flavor or fragrance component.

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

4. Use in Flavors

• Flavor Categories and Applications: Acetyl isovaleryl is used in fruit-flavored products, particularly those mimicking pear, apple, and banana profiles. It is also used in confectionery, beverages, and dairy products.
• Functional Role in Flavor Systems: It acts as a modifier and impact note, enhancing the fruity and sweet characteristics of the flavor profile.
• Typical Use Levels: Documented use levels range from 1 to 10 ppm in finished food products, with typical industry use around 5 ppm.
• Stability Considerations: Acetyl isovaleryl is relatively stable under normal storage conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

• Fragrance Families and Product Types: Commonly used in fruity and floral fragrance compositions, including personal care products and household items.
• Functional Role: It serves as a trace realism note and modifier, contributing to the overall complexity and appeal of the fragrance.
• Typical Concentration Ranges: Typically used at concentrations of 0.1% to 1% in fragrance formulations.
• Volatility and Top/Middle/Base Contribution: Acetyl isovaleryl is considered a middle note, providing a lasting fruity character.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States (FDA / FEMA GRAS): Not explicitly listed as GRAS by FEMA; usage should be verified with current FEMA publications.
• European Union (Reg. (EC) No 1334/2008; FL number status): Not clearly reported; formulators should consult the latest EU regulations.
• United Kingdom (Post-Brexit Alignment or Divergence): Aligns with EU regulations; specific divergences not reported.
• Asia (Japan, China, ASEAN): High-level regulatory status not clearly documented; local regulations should be consulted.
• Latin America (e.g., Brazil, MERCOSUR): Regulatory status not explicitly detailed; regional guidelines should be checked.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Data on acceptable daily intake (ADI) or threshold of toxicological concern (TTC) is not clearly reported. Formulators should ensure usage levels are within industry-typical ranges.
• Dermal Exposure: No specific data on irritation or sensitization; formulators should adhere to IFRA guidelines for fragrance use.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered in manufacturing settings.
• Risk Profiles: Generally considered safe at typical use levels in both food and fragrance applications, but specific risk assessments should be conducted based on intended use.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Acetyl isovaleryl provides a unique fruity and sweet note that is difficult to replicate with other compounds, making it valuable for creating authentic fruit flavors.
• Typical Synergies: Works well with other esters and aldehydes to enhance fruity and floral profiles.
• Common Formulation Pitfalls: Overuse can lead to an overpowering sweetness; balance with other notes is crucial.
• Situations Where It is Frequently Over- or Under-Used: Often under-used in complex formulations where its subtlety can be lost; careful calibration is necessary to achieve the desired effect.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: Basic chemical identity and sensory characteristics are well-documented.
• Industry-Typical but Undocumented Practices: Usage levels and sensory roles are often based on industry experience rather than formal studies.
• Known Data Gaps or Regulatory Ambiguities: Specific regulatory approvals and toxicological data are limited; formulators should verify with authoritative sources.

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 2026-10-02 16:39:12 GMT (p2)