FlavScents AInsights Entry for 3,4-Hexane Dione (CAS: 4437-51-8)

1. Identity & Chemical Information

• Common Name(s): 3,4-Hexane dione
• IUPAC Name: Hexane-3,4-dione
• CAS Number: 4437-51-8
• FEMA Number: Not applicable
• Other Identifiers: Not available
• Molecular Formula: C6H10O2
• Molecular Weight: 114.14 g/mol
• Functional Groups and Structure–Odor Relevance: 3,4-Hexane dione is a diketone, characterized by two carbonyl groups. The presence of these functional groups is significant for its reactivity and potential odor characteristics, which can influence its role in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3,4-Hexane dione is known for its distinct odor profile, often described as buttery with a hint of sweetness. The compound's odor intensity is moderate, making it suitable for use as a background note rather than a primary impact note. Its diffusion is relatively low, which can be advantageous in creating subtle flavor nuances. The taste threshold data for 3,4-hexane dione is not clearly reported, but it is typically used in low concentrations to avoid overpowering other flavor components.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

3,4-Hexane dione does not occur naturally in significant quantities and is primarily synthesized for industrial use. It can be formed through chemical synthesis involving the oxidation of hexane derivatives. Its relevance to "natural flavor" designation is limited due to its synthetic origin, although it can be used in formulations labeled as "nature-identical."

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

4. Use in Flavors

3,4-Hexane dione is utilized in various flavor categories, including dairy and confectionery, where it imparts a creamy, buttery note. Its functional role in flavor systems is often as a modifier, enhancing the richness and depth of the overall profile. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, with industry-typical levels around 1 ppm. It is relatively stable under normal processing conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, 3,4-hexane dione is used in trace amounts to add subtle buttery nuances to compositions. It is found in fragrance families such as gourmand and sweet accords. Its functional role is primarily as a modifier, contributing to the complexity of the scent profile. Typical concentration ranges are from 0.01% to 0.1%, depending on the desired effect. It contributes 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: Not explicitly listed as FEMA GRAS; usage should comply with general safety standards.
• European Union: Not specifically listed under Regulation (EC) No 1334/2008; usage should align with general flavoring guidelines.
• United Kingdom: Follows EU regulations post-Brexit; no specific divergence noted.
• Asia: Limited specific data; general compliance with local flavoring regulations is advised.
• Latin America: No specific data; adherence to MERCOSUR and local regulations is recommended.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: No specific ADI or MSDI established; usage should be guided by general safety assessments and industry practices.
• Dermal Exposure: Limited data on irritation or sensitization; IFRA guidelines should be consulted for fragrance applications.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered in manufacturing settings.

Risk profiles may differ between food and fragrance applications due to varying exposure routes and concentrations.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

3,4-Hexane dione is valued for its ability to impart a creamy, buttery note, enhancing the richness of both flavors and fragrances. It synergizes well with other creamy and sweet notes, such as vanilla and caramel. Formulators should be cautious of its potential to overpower delicate profiles if used excessively. It is often under-utilized in complex formulations where subtlety is desired.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3,4-hexane dione is well-established in terms of its chemical identity and sensory characteristics. However, there are gaps in specific regulatory approvals and detailed toxicological data. Industry practices often guide its use, with formulators relying on empirical knowledge and safety assessments.

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 2026-08-07 16:26:18 GMT (p2)