FlavScents AInsights Entry for 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. 05.061
• Molecular Formula: C5H10O
• Molecular Weight: 86.13 g/mol

Isovaleraldehyde is an aliphatic aldehyde characterized by a branched structure, which contributes to its distinct odor profile. The presence of the aldehyde functional group is crucial for its reactivity and sensory properties, often imparting a pungent, fruity aroma that is significant 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 compared to the smell of apples or overripe fruit. The compound has a low odor threshold, making it a potent impact note in formulations. Its sensory role is typically as a top note, providing an initial burst of aroma that can enhance the perception of freshness and fruitiness in both flavors and fragrances.

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 Maillard reaction, a chemical reaction between amino acids and reducing sugars that occurs during the cooking process, contributing to the complex flavors of cooked foods. Additionally, it can be formed through fermentation processes and enzymatic degradation of amino acids in natural sources. Its presence in natural products allows it to be designated as a "natural flavor" or "natural fragrance" under certain regulatory frameworks.

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 serves as an impact note that enhances the authenticity and complexity of flavor profiles. Typical use levels in finished food products range from 0.1 to 5 ppm, depending on the desired intensity and the specific application. It is stable under typical processing conditions but may degrade under extreme heat or acidic conditions, which should be considered during formulation.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, isovaleraldehyde is used in various fragrance families, including fruity, floral, and gourmand. It acts as a modifier or impact note, providing a fresh, fruity top note that enhances the overall fragrance composition. Typical concentration ranges in fragrance formulations are from trace amounts up to 0.5%, depending on the desired effect and product type. Its volatility makes it suitable for top note applications, contributing to the initial perception of the fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Recognized as GRAS by FEMA for flavor use. No specific restrictions for fragrance use.
• European Union: Approved under Regulation (EC) No 1334/2008 with FL No. 05.061 for flavor use.
• United Kingdom: Follows EU regulations post-Brexit with no significant divergence noted.
• Asia: Approved for use in Japan and China, with specific concentration limits varying by country.
• Latin America: Generally accepted in Brazil and MERCOSUR countries, with harmonized assumptions for flavor use.

Explicit approvals exist for flavor applications, while fragrance use is typically governed by industry standards and safety assessments.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Isovaleraldehyde has a low acute toxicity profile with an acceptable daily intake (ADI) established by FEMA. The margin of safety is considered adequate for typical flavor use levels.
• Dermal Exposure: Generally regarded as safe for use in fragrances, with low potential for skin irritation or sensitization. IFRA guidelines provide specific concentration limits to ensure consumer safety.
• Inhalation Exposure: Volatile nature requires consideration of occupational exposure limits, though typical consumer exposure is well within safe limits.

Risk profiles are similar for both food and fragrance applications, with no significant differences noted.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Isovaleraldehyde is valued for its ability to impart a fresh, fruity note that enhances the realism and complexity of both flavors and fragrances. It synergizes well with other aldehydes and esters, providing a balanced and appealing aroma profile. Formulators should be cautious of its potency, as overuse can lead to an overpowering or harsh aroma. 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 isovaleraldehyde is well-established, with comprehensive sensory and safety profiles documented in authoritative sources. Industry practices are supported by both empirical data and regulatory guidelines. However, some variability in natural occurrence and formation pathways may exist, necessitating careful consideration in natural product formulations.

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 2026-02-19 21:21:00 GMT (p2)