AInsights Entry for 3-Acetyl Thiophene (CAS: 1468-83-3)

1. Identity & Chemical Information

• Common Name(s): 3-Acetyl thiophene
• IUPAC Name: 1-(thiophen-3-yl)ethanone
• CAS Number: 1468-83-3
• FEMA Number: Not available
• Other Identifiers: FL number not available; CoE number not available; IFRA reference not available
• Molecular Formula: C6H6OS
• Molecular Weight: 126.18 g/mol
• Functional Groups and Structure–Odor Relevance: 3-Acetyl thiophene contains a thiophene ring, which is a sulfur-containing heterocycle, and an acetyl group. The presence of sulfur is often associated with potent odor characteristics, contributing to its use in flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

• Odor and Flavor Descriptors: 3-Acetyl thiophene is characterized by a roasted, nutty, and slightly sulfurous aroma. It is often described as having a popcorn-like or roasted coffee note.
• Taste and/or Odor Thresholds: Specific thresholds are not clearly reported, but it is known to be potent at low concentrations.
• Typical Sensory Role: It serves as an impact note in flavor formulations, providing depth and complexity to roasted and nutty profiles.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

• Known Natural Sources: 3-Acetyl thiophene is not commonly found in nature but can be a component of roasted coffee and other thermally processed foods.
• Formation Pathways: It is typically formed through the Maillard reaction during the roasting of coffee and other foods, where amino acids and reducing sugars react under heat.
• Relevance to “Natural Flavor” or “Natural Fragrance” Designation: While it can be derived from natural processes, its presence in nature is limited, and it is often synthesized for use in flavors and fragrances.

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

4. Use in Flavors

• Flavor Categories and Applications: Commonly used in coffee, chocolate, and nut flavors to enhance roasted and nutty notes.
• Functional Role in Flavor Systems: Acts as an impact note and modifier, enhancing the authenticity of roasted profiles.
• Typical Use Levels: Documented use levels range from 0.1 to 5 ppm in finished food products, with typical levels around 1 ppm.
• Stability Considerations: 3-Acetyl thiophene is relatively stable under typical food processing conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

• Fragrance Families and Product Types: Used in gourmand and oriental fragrance families, as well as in fine fragrances and personal care products.
• Functional Role: Provides trace realism and acts as a modifier to enhance warmth and depth.
• Typical Concentration Ranges: Typically used at trace levels, often below 0.1% in fragrance formulations.
• Volatility and Top/Middle/Base Contribution: It contributes primarily to the middle notes, providing a warm, roasted character.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States (FDA / FEMA GRAS): Not explicitly listed as GRAS by FEMA.
• European Union (Reg. (EC) No 1334/2008; FL number status): Not specifically listed under EU flavoring regulations.
• United Kingdom (Post-Brexit Alignment or Divergence): Follows EU regulations; no specific divergence noted.
• Asia (Japan, China, ASEAN): Limited specific regulatory information available; typically follows international standards.
• Latin America (e.g., Brazil, MERCOSUR): Regulatory status not clearly documented; generally follows international guidelines.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: No specific ADI or MSDI established; considered safe at typical flavor use levels.
• Dermal Exposure: Limited data on irritation or sensitization; generally considered low risk in fragrance applications.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure, but no specific occupational hazards reported.
• Risk Profiles: Generally considered safe for both food and fragrance applications at typical use levels.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

• Why This Material is Valuable: Provides a unique roasted and nutty character that is difficult to replicate with other compounds.
• Typical Synergies: Works well with other Maillard reaction products and pyrazines to enhance roasted profiles.
• Common Formulation Pitfalls: Overuse can lead to an overpowering sulfurous note; balance is key.
• Situations Where It is Frequently Over- or Under-Used: Often under-used in chocolate flavors where it can enhance authenticity.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

• Well-Established Data: Sensory characteristics and formation pathways are well-documented.
• Industry-Typical but Undocumented Practices: Use levels and synergies are often based on industry experience rather than published data.
• Known Data Gaps or Regulatory Ambiguities: Specific regulatory approvals and toxicological data are limited.

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 2026-05-25 09:38:15 GMT (p2)