FlavScents AInsights Entry: Diisobutyl Phthalate (CAS: 84-69-5)

1. Identity & Chemical Information

• Common Name(s): Diisobutyl phthalate
• IUPAC Name: Bis(2-methylpropyl) benzene-1,2-dicarboxylate
• CAS Number: 84-69-5
• FEMA Number: Not applicable
• Other Identifiers: FL number not applicable, CoE number not applicable, IFRA reference not applicable
• Molecular Formula: C16H22O4
• Molecular Weight: 278.35 g/mol
• Functional Groups and Structure–Odor Relevance: Diisobutyl phthalate is an ester of phthalic acid and isobutanol. Its structure includes two ester groups, which are typically associated with fruity and floral odors in smaller esters, although diisobutyl phthalate itself is not primarily used for its odor properties.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: Diisobutyl phthalate is not typically used for its sensory properties in flavors or fragrances. It is generally considered odorless or has a very faint, slightly sweet odor.
• Taste and/or Odor Thresholds: Data not found.
• Typical Sensory Role: Not applicable as it is not used for its sensory characteristics in flavor or fragrance formulations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: Diisobutyl phthalate is a synthetic compound and does not occur naturally.
• Formation Pathways: It is produced industrially by the esterification of phthalic anhydride with isobutanol.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: As a synthetic compound, diisobutyl phthalate does not qualify for natural flavor or fragrance designations.

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

4. Use in Flavors

• Flavor Categories and Applications: Diisobutyl phthalate is not used in flavor applications due to its lack of sensory impact.
• Functional Role in Flavor Systems: Not applicable.
• Typical Use Levels: Not applicable.
• Stability Considerations: Diisobutyl phthalate is stable under normal conditions but is not relevant for flavor stability considerations.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

• Fragrance Families and Product Types: Diisobutyl phthalate is not typically used in fragrance formulations.
• Functional Role: Not applicable.
• Typical Qualitative or Quantitative Concentration Ranges: Not applicable.
• Volatility and Top/Middle/Base Contribution: Not applicable.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States (FDA / FEMA GRAS): Diisobutyl phthalate is not listed as GRAS for flavor use.
• European Union (Reg. (EC) No 1334/2008; FL number status): Not approved for use in food or fragrance applications.
• United Kingdom (post-Brexit alignment or divergence): Follows EU regulations.
• Asia (Japan, China, ASEAN): Generally not approved for use in food or fragrance applications.
• Latin America (e.g., Brazil, MERCOSUR): Not typically approved for use in food or fragrance applications.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Diisobutyl phthalate is not intended for oral consumption; therefore, ADI, TTC, and MSDI are not applicable.
• Dermal Exposure: It may cause skin irritation and is not recommended for use in cosmetics or personal care products.
• Inhalation Exposure: Low volatility reduces inhalation risk, but occupational exposure should be minimized.
• Risk Profiles: The risk profile is primarily relevant to industrial exposure rather than consumer use in flavors or fragrances.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Diisobutyl phthalate is primarily used as a plasticizer in industrial applications, not in flavor or fragrance formulations.
• Typical Synergies: Not applicable.
• Common Formulation Pitfalls: Not applicable.
• Situations Where It Is Frequently Over- or Under-Used: Not applicable in flavor or fragrance contexts.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: Regulatory and safety data are well-documented for industrial uses.
• Industry-Typical but Undocumented Practices: Not applicable to flavor or fragrance industries.
• Known Data Gaps or Regulatory Ambiguities: No significant gaps for its intended industrial 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 (not applicable)
• Toxicology section covers oral, dermal, inhalation
• Regulatory section mentions US, EU, UK, Asia, Latin America
• If complex natural material: includes section 5a (not applicable)

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 09:50:58 GMT (p2)