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

1. Identity & Chemical Information

• Common Name(s): Isovaleraldehyde
• 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 distinctive 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 formulations.

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 compared to the smell of green apples or fresh-cut grass. The compound has a relatively low odor threshold, making it a potent impact note in both flavor and fragrance applications. Its intensity and diffusion are notable, allowing it to stand out even in complex mixtures.

In flavor systems, isovaleraldehyde is used to impart a fresh, fruity character, often enhancing the realism of fruit flavors. It can also serve as a background modifier, adding depth and complexity to formulations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Isovaleraldehyde occurs naturally in various fruits and essential oils. It is a byproduct of the fermentation process and can be formed through the Maillard reaction, which occurs during the cooking of foods. This compound is also found in the volatile fraction of certain alcoholic beverages, contributing to their aroma profiles.

Its presence in natural sources allows it to be designated as a "natural flavor" under certain regulatory frameworks, provided it is derived from natural processes.

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

4. Use in Flavors

Isovaleraldehyde is utilized in a wide range of flavor categories, including fruit, nut, and dairy flavors. It acts as an impact note, providing a fresh, fruity character that enhances the overall flavor profile. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, depending on the desired intensity and application.

The compound is relatively stable under typical food processing conditions, although it may be susceptible to oxidation. Formulators should consider its reactivity with other aldehydes and ketones in complex systems.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, isovaleraldehyde is used across various fragrance families, including fruity, green, and floral compositions. It serves as a top note, providing an initial burst of freshness and realism. Typical concentration ranges in fragrance products are from trace amounts up to 0.5%, depending on the formulation and desired effect.

Its volatility makes it an effective top note, contributing to the initial impression of a fragrance. However, its strong odor requires careful balancing with other components to avoid overpowering the blend.

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: Aligns with EU regulations post-Brexit.
• Asia: Approved for use in Japan and China, with specific restrictions in certain ASEAN countries.
• Latin America: Generally accepted, with specific regulations in Brazil and MERCOSUR countries.

Regulatory frameworks generally support its use in both flavor and fragrance applications, although specific restrictions may apply based on concentration and product type.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, isovaleraldehyde is considered safe at typical use levels in food, with an acceptable daily intake (ADI) established by relevant authorities. Dermal exposure in fragrance applications is generally safe, although it may cause irritation or sensitization in sensitive individuals. IFRA provides guidelines for its use in fragrance products to minimize these risks.

Inhalation exposure is primarily a concern in occupational settings, where adequate ventilation and protective measures are recommended to prevent irritation.

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 sensory profile. Formulators should be cautious of its strong odor, which can dominate blends if not balanced properly. It is often under-used in complex formulations where its impact could enhance the overall profile.

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 well-documented, although some variability exists in use levels and applications. Known data gaps are minimal, with ongoing research focusing on its broader applications and safety profiles.

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 2026-10-19 17:20:59 GMT (p2)