FlavScents AInsights Entry: Isovaleraldehyde (CAS: 590-86-3)

1. Identity & Chemical Information

• Common Name(s): Isovaleraldehyde, 3-Methylbutanal
• IUPAC Name: 3-Methylbutanal
• CAS Number: 590-86-3
• FEMA Number: 2693
• Other Identifiers: FL No. 05.015
• Molecular Formula: C5H10O
• Molecular Weight: 86.13 g/mol

Isovaleraldehyde is an aliphatic aldehyde characterized by a branched structure with a methyl group at the third carbon. This structural feature contributes to its distinct odor profile, which is often described as pungent and fruity. The aldehyde functional group is crucial for its reactivity and sensory properties, influencing its role in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Isovaleraldehyde is known for its strong, penetrating odor with descriptors such as pungent, fruity, and nutty. It is often associated with the aroma of apples and other fruits. The compound's odor threshold is relatively low, making it a potent impact note in formulations. Its sensory role is typically as an impact note or modifier, providing a sharp, fruity character that can enhance the realism of fruit flavors or add complexity to fragrance compositions.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Isovaleraldehyde occurs naturally in various fruits and fermented products. It is a byproduct of the Maillard reaction, which occurs during the cooking and processing of foods, contributing to the development of complex flavors. Additionally, it can be formed through the enzymatic degradation of amino acids such as leucine. Its presence in natural sources supports its designation as a "natural flavor" in certain regulatory contexts.

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

4. Use in Flavors

Isovaleraldehyde is utilized in a wide range of flavor applications, particularly in fruit, nut, and dairy flavors. It serves as a key impact note in apple, banana, and cheese flavors, among others. Typical use levels in finished food products range from 0.1 to 5 ppm, depending on the desired intensity and the complexity of the flavor system. 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 the fragrance industry, isovaleraldehyde is used to impart a fresh, fruity note to compositions. It is commonly found in fragrance families such as fruity, floral, and gourmand. Its role can vary from a trace realism enhancer to a prominent impact note. Typical concentration ranges in fragrance products are from 0.01% to 0.1%, depending on the desired effect. Isovaleraldehyde is highly volatile, contributing primarily to the top notes of a 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 No. 05.015.
• United Kingdom: Follows EU regulations post-Brexit.
• Asia: Approved for use in Japan and China, with specific restrictions in some ASEAN countries.
• Latin America: Generally accepted, with specific regulations in Brazil and MERCOSUR countries.

Isovaleraldehyde is widely approved for use in both flavors and fragrances, with harmonized assumptions across many regions. However, formulators should verify specific country regulations due to potential variability.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, isovaleraldehyde is considered safe at typical use levels, with an acceptable daily intake (ADI) established by regulatory bodies. Dermal exposure in fragrance applications is generally safe, though it may cause irritation or sensitization in sensitive individuals. IFRA provides guidelines for safe use concentrations. Inhalation exposure is primarily a concern in occupational settings, where adequate ventilation and protective measures are recommended.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Isovaleraldehyde is valued for its ability to impart a fresh, fruity character to both flavors and fragrances. It synergizes well with other aldehydes and esters, enhancing the overall complexity of formulations. Common pitfalls include overuse, leading to an overpowering or artificial aroma. It is often underutilized in savory applications, where it can add depth and interest.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on isovaleraldehyde is well-established, with comprehensive sensory and regulatory information available. Industry practices are documented, though some variability exists in regional regulations. Known data gaps are minimal, primarily related to specific toxicological endpoints.

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 2026-09-04 03:08:05 GMT (p2)