FlavScents AInsights Entry for Thiogeraniol (CAS: 39067-80-6)

1. Identity & Chemical Information

Thiogeraniol, also known as 3,7-dimethyl-2,6-octadien-1-thiol, is a sulfur-containing compound with the CAS number 39067-80-6. It does not have a FEMA number assigned. The molecular formula for thiogeraniol is C10H18S, and it has a molecular weight of 170.32 g/mol. The presence of a thiol group in its structure is significant for its odor profile, contributing to its characteristic sulfurous and citrus-like scent. This functional group is crucial for its role in both flavor and fragrance applications, where it imparts a unique and potent aroma.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Thiogeraniol is characterized by its strong, sulfurous odor with citrus and floral undertones. It is often described as having a grapefruit-like scent with a hint of rose, making it a valuable component in both flavor and fragrance formulations. The intensity of its odor is high, and it is typically used in trace amounts to achieve the desired sensory effect. While specific taste and odor thresholds are not well-documented, its potent aroma suggests a low threshold, requiring careful dosing to avoid overpowering other components in a formulation.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Thiogeraniol is not commonly found in nature but can be synthesized through chemical processes. It is often produced via the thiolation of geraniol, a naturally occurring alcohol found in essential oils such as rose and citronella. This synthetic pathway allows for the controlled production of thiogeraniol, which is essential for its use in "natural flavor" or "natural fragrance" designations, provided the starting materials are of natural origin.

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

4. Use in Flavors

In flavor applications, thiogeraniol is used to impart a fresh, citrusy note with a sulfurous twist, enhancing the authenticity of grapefruit and other citrus flavors. It is commonly used in beverages, confectionery, and savory products. Typical use levels in finished products range from 0.1 to 5 ppm, depending on the desired intensity and the complexity of the flavor system. Thiogeraniol is relatively stable under acidic conditions but may degrade under high heat or oxidative environments, necessitating careful formulation considerations.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

Thiogeraniol is utilized in fragrance compositions to add a fresh, citrusy, and slightly sulfurous note, often enhancing floral and fruity accords. It is found in fragrance families such as citrus, floral, and green. Its role can vary from a trace realism enhancer to a prominent impact note, depending on the concentration used. Typical concentrations in fragrance formulations range from 0.01% to 0.1%. Thiogeraniol contributes primarily to the top and middle notes due to its moderate volatility.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, thiogeraniol is not explicitly listed as GRAS by FEMA, but it may be used under general flavoring substance guidelines. In the European Union, it falls under the scope of Regulation (EC) No 1334/2008, where it is permitted for use in flavorings. The United Kingdom follows similar regulations post-Brexit. In Asia, specific regulations may vary, with Japan and China having their own lists of approved flavoring substances. In Latin America, countries like Brazil and those in MERCOSUR may have harmonized regulations, but specific approvals should be verified.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Thiogeraniol's safety profile must be considered across different exposure routes. For oral exposure in flavor applications, specific ADI or MSDI values are not well-documented, but it is generally used in low concentrations. Dermal exposure in fragrances may pose a risk of irritation or sensitization, particularly due to its sulfur content, and should be evaluated according to IFRA guidelines. Inhalation exposure is primarily relevant in occupational settings, where adequate ventilation and protective measures are recommended to minimize risks.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Thiogeraniol is valued for its ability to impart a fresh, citrusy note with a unique sulfurous character, making it a versatile ingredient in both flavors and fragrances. It synergizes well with other citrus and floral components, enhancing their authenticity and complexity. Formulators should be cautious of its potent aroma, as overuse can lead to an overpowering scent. It is often under-utilized due to its strong odor, but when used judiciously, it can significantly enhance product profiles.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on thiogeraniol is well-established in terms of its chemical identity and sensory characteristics. However, specific regulatory approvals and toxicological data may be less documented, requiring formulators to rely on industry-typical practices and guidelines. Known data gaps include precise sensory thresholds and comprehensive safety evaluations across all exposure routes.

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 2026-04-13 17:54:33 GMT (p2)