FlavScents AInsights Entry for 3-(4-isobutyl-2-methylphenyl)propanal (CAS: 1637294-12-2)

1. Identity & Chemical Information

• Common Name(s): Not widely known by a common name.
• IUPAC Name: 3-(4-isobutyl-2-methylphenyl)propanal
• CAS Number: 1637294-12-2
• FEMA Number: Not available
• Other Identifiers: Not available
• Molecular Formula: C14H20O
• Molecular Weight: 204.31 g/mol

This compound features an aldehyde functional group, which is often associated with strong, distinctive odors. The presence of the isobutyl and methyl groups on the phenyl ring can influence the compound's volatility and odor profile, potentially contributing to a unique scent character.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3-(4-isobutyl-2-methylphenyl)propanal is expected to have a complex odor profile due to its aldehyde group, which typically imparts a strong, sometimes pungent scent. The compound may exhibit notes that are floral, green, or citrus-like, depending on its concentration and the matrix in which it is used. The intensity and diffusion of the odor can vary, with potential applications as an impact note or a modifier in fragrance compositions.

Taste and odor thresholds for this compound are not clearly reported in the literature, but aldehydes generally have low thresholds, meaning they can be perceived at low concentrations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

There is limited information on the natural occurrence of 3-(4-isobutyl-2-methylphenyl)propanal. It is likely synthesized for use in fragrance and flavor applications rather than being extracted from natural sources. The compound may be formed through synthetic organic chemistry processes involving the introduction of an aldehyde group to a phenyl ring with isobutyl and methyl substitutions.

Its designation as a "natural flavor" or "natural fragrance" would depend on the source of its precursors and the methods used in its synthesis, aligning with regulatory definitions.

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

4. Use in Flavors

3-(4-isobutyl-2-methylphenyl)propanal may be used in flavor applications where a strong, distinctive note is desired. It could be utilized in flavor categories such as citrus, floral, or green, contributing to the overall complexity and realism of the flavor profile.

Typical use levels in finished food or beverage products are not well-documented, but aldehydes are generally used at low ppm levels due to their potency. Industry-typical estimates suggest use levels might range from 0.1 to 5 ppm, depending on the desired intensity and the specific application.

Stability considerations include potential sensitivity to heat and oxidation, which could alter the compound's odor profile.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, 3-(4-isobutyl-2-methylphenyl)propanal could be used in various fragrance families, including floral, citrus, and green. It may serve as a trace realism note or a modifier, enhancing the complexity of the fragrance composition.

The compound's volatility suggests it could contribute to the top or middle notes of a fragrance. Typical concentration ranges are not explicitly documented, but it is likely used at low concentrations due to its potent odor.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed in FEMA GRAS publications.
• European Union: Not specifically mentioned in Regulation (EC) No 1334/2008; FL number status not available.
• United Kingdom: Post-Brexit regulatory alignment with the EU is assumed, but specific divergence is not documented.
• Asia: Regulatory status in Japan, China, and ASEAN countries is not clearly reported.
• Latin America: Specific regulatory information for Brazil and MERCOSUR countries is not available.

The compound's regulatory status may involve harmonized assumptions based on its structural similarity to other aldehydes, but explicit approvals or restrictions are not well-documented.

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 found. The margin of safety for flavor use would need to be assessed based on structural analogs.
• Dermal Exposure: Potential for irritation or sensitization is not clearly reported, but aldehydes can be sensitizing. IFRA guidelines may provide relevant restrictions.
• Inhalation Exposure: Volatility suggests potential occupational exposure considerations, but specific inhalation toxicity data is not available.

Risk profiles may differ between food and fragrance applications, with dermal exposure in fragrances potentially posing a higher risk of sensitization.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

3-(4-isobutyl-2-methylphenyl)propanal is valuable for its potent and distinctive odor profile, which can enhance the complexity of both flavors and fragrances. Formulators should consider its strong impact and potential for sensitization, using it judiciously to avoid overpowering the composition.

Synergies with other aldehydes or floral and citrus notes can enhance its effectiveness. Common pitfalls include overuse, leading to an unbalanced profile, or underuse, resulting in a lack of desired impact.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3-(4-isobutyl-2-methylphenyl)propanal is limited, with much of the information inferred from structural analogs and general aldehyde characteristics. Industry practices are often undocumented, and regulatory ambiguities exist due to the lack of specific listings.

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 2026-02-17 08:52:42 GMT (p2)