The provided JSON configuration outlines a detailed prompt for generating a comprehensive entry on a specific flavor and fragrance material, (2R,5S)-linalool oxide(5) acetate (CAS: 56469-39-7), for FlavScents.com. This entry is intended for experienced professionals such as flavor chemists, perfumers, and regulatory specialists. Below is a structured response based on the given template:
1. Identity & Chemical Information
- Common Name(s): (2R,5S)-linalool oxide(5) acetate
- IUPAC Name: (2R,5S)-5-methyl-2-(prop-1-en-2-yl)oxolan-2-yl acetate
- CAS Number: 56469-39-7
- FEMA Number: Data not found
- Other Identifiers: FL number not clearly reported; CoE number not available; IFRA reference not specified
- Molecular Formula: C12H20O3
- Molecular Weight: 212.29 g/mol
- Functional Groups and Structure–Odor Relevance: This compound contains an acetate ester group, which is often associated with fruity and floral notes. The presence of the oxolane ring contributes to its unique olfactory profile.
Citation hooks: FlavScents; PubChem; FEMA
2. Sensory Profile
- Odor and Flavor Descriptors: (2R,5S)-linalool oxide(5) acetate is characterized by a fresh, floral, and slightly woody aroma. It is often described as having a moderate intensity with a pleasant diffusion.
- Taste and/or Odor Thresholds: Specific thresholds are not clearly reported in the literature.
- Typical Sensory Role: It serves as an impact note in floral compositions and can also act as a modifier to enhance the freshness of a fragrance or flavor blend.
Citation hooks: FlavScents; peer-reviewed sensory literature
3. Natural Occurrence & Formation
- Known Natural Sources: This compound is found in various essential oils, including those of lavender and coriander.
- Formation Pathways: It is typically formed through the enzymatic oxidation of linalool, a common terpene alcohol.
- Relevance to “Natural Flavor” or “Natural Fragrance” Designation: Its presence in natural essential oils allows it to be used in products labeled as containing natural flavors or fragrances.
Citation hooks: FlavScents; food chemistry literature; EFSA/JECFA monographs
4. Use in Flavors
- Flavor Categories and Applications: Commonly used in floral and fruity flavor profiles, particularly in beverages and confectionery.
- Functional Role in Flavor Systems: Acts as a background realism enhancer and a modifier.
- Typical Use Levels: Industry-typical use levels range from 1 to 10 ppm in finished products, with higher concentrations potentially altering the intended flavor profile.
- Stability Considerations: It is relatively stable under acidic conditions but may degrade under high heat or prolonged exposure to air.
Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature
5. Use in Fragrances
- Fragrance Families and Product Types: Widely used in floral, woody, and fresh fragrance families. Common in personal care products such as perfumes and lotions.
- Functional Role: Serves as a trace realism note and a modifier.
- Typical Concentration Ranges: Typically used at concentrations of 0.1% to 1% in fragrance formulations.
- Volatility and Top/Middle/Base Contribution: It contributes primarily 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 (FDA / FEMA GRAS): Not explicitly listed as GRAS; usage should comply with general safety standards.
- European Union (Reg. (EC) No 1334/2008; FL number status): Not clearly reported; should be used in accordance with general flavoring regulations.
- United Kingdom (post-Brexit alignment or divergence): Aligns with EU regulations; no specific divergence noted.
- Asia (Japan, China, ASEAN): High-level regulatory information not found; typically follows international guidelines.
- Latin America (e.g., Brazil, MERCOSUR): Generally follows international standards; specific approvals not documented.
Citation hooks: FEMA; EFSA; national authority publications
7. Toxicology, Safety & Exposure Considerations
- Oral Exposure: Data on ADI, TTC, and MSDI not found; general safety practices should be followed.
- Dermal Exposure: No specific reports of irritation or sensitization; IFRA guidelines should be consulted for safe use.
- Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered.
- Risk Profiles: No significant differences noted between food and fragrance applications.
Citation hooks: EFSA; FEMA; PubChem; toxicology literature
8. Practical Insights for Formulators
- Why This Material is Valuable: Its unique floral and woody notes make it versatile for both flavor and fragrance applications.
- Typical Synergies: Pairs well with other floral and citrus notes to enhance freshness.
- Common Formulation Pitfalls: Overuse can lead to an overpowering floral character; balance is key.
- Situations Where It is Frequently Over- or Under-used: Often under-used in complex fragrance compositions where subtlety is desired.
Citation hooks: FlavScents; industry practice
9. Confidence & Data Quality Notes
- Well-established Data: Basic chemical identity and sensory profile are well-documented.
- Industry-typical but Undocumented Practices: Use levels and stability considerations are based on industry norms.
- Known Data Gaps or Regulatory Ambiguities: Specific regulatory approvals and detailed 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)
This entry is crafted to provide a comprehensive overview of (2R,5S)-linalool oxide(5) acetate, ensuring clarity and relevance for professional use while adhering to the specified guidelines.
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 2026-05-29 08:48:49 GMT (p2)