FlavScents AInsights Entry for Diisobutyl Adipate (CAS: 141-04-8)

1. Identity & Chemical Information

• Common Name(s): Diisobutyl adipate
• IUPAC Name: Diisobutyl hexanedioate
• CAS Number: 141-04-8
• FEMA Number: Not applicable
• Other Identifiers: FL number not available; CoE number not available; IFRA reference not applicable
• Molecular Formula: C14H26O4
• Molecular Weight: 258.36 g/mol
• Functional Groups and Structure–Odor Relevance: Diisobutyl adipate is an ester, characterized by its adipate backbone. Esters are known for their fruity and floral odors, which can contribute to the material's sensory profile.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Diisobutyl adipate is primarily recognized for its mild, fruity odor with subtle floral undertones. It is not typically used for its taste but rather for its olfactory properties. The compound's odor intensity is moderate, making it suitable for use as a background note or modifier in fragrance compositions. Specific odor thresholds are not well-documented, but its role as a subtle enhancer suggests a low threshold.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Diisobutyl adipate is not known to occur naturally and is typically synthesized through esterification of adipic acid with isobutanol. This synthetic origin means it does not qualify for "natural flavor" or "natural fragrance" designations under most regulatory frameworks.

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

4. Use in Flavors

Diisobutyl adipate is not commonly used in flavor applications due to its synthetic origin and primary function as a fragrance material. When used, it may serve as a background modifier in certain artificial flavor systems. Typical use levels in food are not well-documented, but industry practice suggests minimal concentrations, often below 10 ppm, to avoid overpowering other flavor components. The compound is stable under typical food processing conditions, including moderate heat and pH variations.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, diisobutyl adipate is valued for its ability to impart a soft, fruity-floral note. It is used across various fragrance families, including floral, fruity, and green compositions. Its functional role often includes acting as a modifier or providing trace realism. Typical concentration ranges in fragrance formulations are between 0.1% and 1%, depending on the desired intensity and product type. Diisobutyl adipate contributes primarily to the middle notes of a fragrance due to its moderate volatility.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Diisobutyl adipate is not specifically listed as FEMA GRAS for flavor use but is used in fragrances.
• European Union: Not listed under Reg. (EC) No 1334/2008 for flavor use; no specific FL number.
• United Kingdom: Follows EU regulations post-Brexit; no divergence noted.
• Asia: Limited specific data; typically follows international standards for synthetic fragrance materials.
• Latin America: No specific regulatory listings; generally aligns with international fragrance standards.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Not typically used in food; therefore, ADI, TTC, and MSDI are not applicable.
• Dermal Exposure: Generally considered safe for use in fragrances; no significant irritation or sensitization reported. IFRA standards should be consulted for specific use limits.
• Inhalation Exposure: Low volatility reduces inhalation risk; occupational exposure considerations are minimal.

Overall, diisobutyl adipate presents a low risk profile in fragrance applications, with no significant differences in risk between food and fragrance uses due to its limited use in flavors.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Diisobutyl adipate is valued for its ability to enhance the fruity and floral aspects of a fragrance without dominating the composition. It synergizes well with other esters and floral compounds. Formulators should be cautious of overuse, which can lead to an overly synthetic character. It is often under-utilized in complex fragrance systems where subtlety is desired.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on diisobutyl adipate is well-established for its use in fragrances, with consistent industry practices. However, there are gaps in flavor use data due to its limited application in this area. Regulatory ambiguities exist regarding its classification in different regions, particularly for flavor use.

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
• Section 5a is not applicable as diisobutyl adipate is not a complex natural material

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 2026-04-12 10:32:54 GMT (p2)