FlavScents AInsights Entry for 3-Methyl Thiophene (CAS: 616-44-4)

1. Identity & Chemical Information

• Common Name(s): 3-Methyl thiophene
• IUPAC Name: 3-Methylthiophene
• CAS Number: 616-44-4
• FEMA Number: Not applicable
• Other Identifiers: FL number not available; CoE number not available; IFRA reference not applicable
• Molecular Formula: C5H6S
• Molecular Weight: 98.17 g/mol

3-Methyl thiophene is a sulfur-containing heterocyclic compound characterized by a five-membered ring structure with a sulfur atom and a methyl group attached at the third position. The presence of the sulfur atom contributes to its distinctive odor profile, which is often described as earthy or sulfury. This structural feature is crucial for its odor relevance, as sulfur compounds are known for their potent and characteristic scents.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3-Methyl thiophene is known for its strong, earthy, and sulfury odor, reminiscent of roasted or cooked vegetables. It is often described as having a pungent, slightly sweet aroma with a hint of smokiness. The intensity of its odor is moderate to high, making it a significant impact note in formulations where an earthy or sulfury character is desired. The compound's diffusion is relatively high, allowing it to be perceived even at low concentrations.

Taste and odor thresholds for 3-methyl thiophene are not well-documented in the literature. However, its sensory role is typically as an impact note, providing a distinctive character to flavor and fragrance compositions.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

3-Methyl thiophene is not commonly found in nature but can be formed through various chemical processes. It is often produced synthetically for use in flavor and fragrance applications. The compound can be generated through the thermal degradation of organic matter, which is a process that can occur during cooking or roasting, contributing to the complex aroma profiles of cooked foods.

Due to its synthetic origin and formation through thermal processes, 3-methyl thiophene is not typically designated as a "natural flavor" or "natural fragrance" component.

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

4. Use in Flavors

3-Methyl thiophene is used in flavor formulations to impart an earthy, sulfury note that can enhance the authenticity of savory profiles. It is particularly useful in creating roasted, grilled, or cooked vegetable flavors. The compound is employed in various flavor categories, including savory, meat, and vegetable flavors.

Typical use levels in finished food products are not extensively documented, but industry practices suggest usage in the range of 0.1 to 5 ppm, depending on the desired intensity and application. These values are considered industry-typical estimates.

Stability considerations for 3-methyl thiophene include its moderate resistance to heat and pH variations, although it may be prone to oxidation, which can alter its sensory characteristics.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, 3-methyl thiophene is valued for its ability to add depth and complexity to compositions, particularly in earthy or green fragrance families. It serves as a modifier or impact note, providing a unique sulfury character that can enhance the realism of naturalistic scents.

Typical concentration ranges in fragrance formulations are qualitative, with the compound often used in trace amounts to achieve the desired effect. Its volatility allows it to contribute primarily to the top and middle notes of a fragrance composition.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: 3-Methyl thiophene is not explicitly listed as a FEMA GRAS substance for flavor use. Its use in fragrances is subject to general safety assessments.
• European Union: Under Regulation (EC) No 1334/2008, 3-methyl thiophene does not have a specific FL number and is not explicitly approved as a flavoring substance.
• United Kingdom: Post-Brexit, the regulatory status aligns with the EU, with no specific approvals for 3-methyl thiophene.
• Asia: In Japan, China, and ASEAN countries, specific regulatory information is limited, and the compound's use is generally governed by safety assessments.
• Latin America: In Brazil and MERCOSUR, 3-methyl thiophene is not specifically regulated, with its use subject to general safety evaluations.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Data on the acceptable daily intake (ADI) or threshold of toxicological concern (TTC) for 3-methyl thiophene is not clearly reported. The compound is used at low levels in flavor applications, minimizing potential exposure risks.
• Dermal Exposure: In fragrance applications, 3-methyl thiophene is used in trace amounts, reducing the risk of irritation or sensitization. It is not specifically restricted by IFRA.
• Inhalation Exposure: Due to its volatility, inhalation exposure is possible, particularly in occupational settings. However, the low concentrations used in consumer products mitigate significant risk.

Overall, the risk profiles for food and fragrance applications are similar, with low exposure levels contributing to a favorable safety assessment.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

3-Methyl thiophene is a valuable material for formulators seeking to introduce an earthy, sulfury note to their compositions. It synergizes well with other sulfur-containing compounds and can enhance the authenticity of savory and green profiles. Common formulation pitfalls include overuse, which can lead to an overpowering or unpleasant aroma. It is frequently under-used in applications where a subtle sulfury character could enhance complexity.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3-methyl thiophene is well-established in terms of its chemical identity and sensory characteristics. However, specific regulatory approvals and toxicological data are less documented, leading to reliance on industry-typical practices and safety assessments. Known data gaps include detailed sensory thresholds and comprehensive regulatory listings.

Citation hooks: FlavScents

QA Check

• [x] All required sections 1–9 are present
• [x] "Citation hooks:" line is present under each section
• [x] Flavor section includes ppm ranges
• [x] Toxicology section covers oral, dermal, inhalation
• [x] Regulatory section mentions US, EU, UK, Asia, Latin America
• [x] If complex natural material: includes section 5a (not applicable for this entry)

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 2026-02-19 11:21:40 GMT (p2)