FlavScents AInsights Entry for S-prenyl thioisobutyrate (CAS: 53626-94-1)

1. Identity & Chemical Information

• Common Name(s): S-prenyl thioisobutyrate
• IUPAC Name: 3-methylbut-2-en-1-yl 2-methylpropane-2-thioate
• CAS Number: 53626-94-1
• FEMA Number: Not available
• Other Identifiers: Not available
• Molecular Formula: C9H16OS
• Molecular Weight: 172.29 g/mol

S-prenyl thioisobutyrate is characterized by its thioester functional group, which is known to contribute to its distinctive odor profile. The presence of the prenyl group is significant for its volatility and sensory impact, often imparting a fruity and sulfurous note that is valued in both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

S-prenyl thioisobutyrate is noted for its complex sensory profile, which includes fruity, sulfurous, and slightly green notes. The odor is described as intense and diffusive, making it an impactful component in formulations. While specific taste and odor thresholds are not well-documented, its potent nature suggests it is used in trace amounts to achieve the desired sensory effect. It typically serves as an impact note or modifier, enhancing the overall complexity of a formulation.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

S-prenyl thioisobutyrate is not commonly found in nature and is primarily synthesized for use in flavor and fragrance applications. Its formation is typically achieved through chemical synthesis, involving the esterification of thioisobutyric acid with prenyl alcohol. This synthetic origin means it does not qualify for "natural flavor" or "natural fragrance" designations under most regulatory frameworks.

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

4. Use in Flavors

In flavor applications, S-prenyl thioisobutyrate is used to impart fruity and sulfurous notes, often in tropical or exotic fruit profiles. It functions as a modifier, adding depth and authenticity to flavor systems. Typical use levels in finished food or beverage products are not well-documented, but industry practice suggests usage in the low ppm range due to its potency. Stability considerations include moderate resistance to heat and pH variations, though it may be susceptible to oxidation.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

S-prenyl thioisobutyrate is utilized in various fragrance families, including fruity and green compositions. It acts as a trace realism component or modifier, contributing to the top or middle notes of a fragrance. Its volatility allows it to enhance the initial impression of a fragrance, though it may also contribute to the overall complexity. Typical concentration ranges are qualitative, with usage often in trace amounts to avoid overpowering the blend.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed as FEMA GRAS; usage may be subject to general safety evaluations.
• European Union: Not specifically listed under Regulation (EC) No 1334/2008; usage may be guided by general safety assessments.
• United Kingdom: Follows EU regulations post-Brexit; no specific divergence noted.
• Asia: Limited specific information; general safety assessments apply.
• Latin America: Regulatory status not clearly reported; harmonized assumptions may apply.

Explicit approvals are limited, and formulators should verify compliance with local regulations. Known uncertainties exist due to the lack of specific listings in major regulatory frameworks.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Data not found for ADI or MSDI; usage should be guided by industry-typical practices and safety assessments.
• Dermal Exposure: Limited data on irritation or sensitization; IFRA guidelines should be consulted for fragrance use.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered.

Risk profiles may differ between food and fragrance applications, with fragrance use requiring careful consideration of dermal and inhalation exposure.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

S-prenyl thioisobutyrate is valued for its ability to impart complex fruity and sulfurous notes, enhancing both flavor and fragrance formulations. It synergizes well with other fruity and green notes, though care must be taken to avoid overuse due to its potency. Common pitfalls include using it at too high a concentration, which can lead to an overpowering or unbalanced profile.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on S-prenyl thioisobutyrate is limited, with much of the information being industry-typical but undocumented. Regulatory ambiguities exist due to the lack of specific listings in major frameworks. Formulators should rely on best practices and consult authoritative sources for guidance.

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 2026-01-29 01:37:37 GMT (p2)