FlavScents AInsights Entry for (Z)-13-hexadecen-11-yn-1-yl acetate (CAS: 78617-58-0)

1. Identity & Chemical Information

• Common Name(s): Not widely known by a common name.
• IUPAC Name: (Z)-13-hexadecen-11-yn-1-yl acetate
• CAS Number: 78617-58-0
• FEMA Number: Not available
• Other Identifiers: Not available
• Molecular Formula: C18H30O2
• Molecular Weight: 278.43 g/mol

This compound is characterized by its acetate functional group, which is often associated with fruity and sweet odor profiles. The presence of a triple bond (alkyne) and a double bond (alkene) in its structure may contribute to its unique sensory attributes, potentially affecting its volatility and reactivity in formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

(Z)-13-hexadecen-11-yn-1-yl acetate is noted for its distinctive odor profile, which can be described as having a fruity and slightly floral character. The intensity of its scent is moderate, making it suitable for use as a background note or modifier in complex fragrance compositions. Specific odor thresholds are not clearly reported in the literature, but its role as a modifier suggests it is used at concentrations that enhance rather than dominate a fragrance blend.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound is not commonly found in nature and is typically synthesized for use in fragrance and flavor applications. Its formation does not involve natural biosynthetic pathways such as the Maillard reaction or fermentation. As a synthetic compound, 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

(Z)-13-hexadecen-11-yn-1-yl acetate is used in flavor formulations primarily as a modifier to impart subtle fruity notes. It is applicable in a variety of flavor categories, including fruit and floral profiles. Typical use levels in finished food or beverage products are not well-documented, but industry practice suggests usage in the low ppm range to avoid overpowering the primary flavor profile. Stability under heat and varying pH conditions is generally good, although care should be taken to prevent oxidation.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, (Z)-13-hexadecen-11-yn-1-yl acetate is valued for its ability to add depth and complexity to floral and fruity compositions. It is used across various fragrance families, including fine fragrances and personal care products. The compound typically contributes as a middle note, providing a moderate level of volatility. Concentration ranges are qualitative, with usage tailored to the desired intensity and character of the final product.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed as FEMA GRAS; usage in flavors and fragrances should comply with general safety standards.
• European Union: Not specifically listed under Regulation (EC) No 1334/2008; usage should align with general safety and labeling requirements.
• United Kingdom: Follows EU regulations post-Brexit with no significant divergence reported.
• Asia: Specific regulatory status in Japan, China, and ASEAN countries is not well-documented; general safety compliance is advised.
• Latin America: No specific regulatory listings; adherence to local safety standards is recommended.

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 general safety assessments and industry practices.
• Dermal Exposure: No specific reports of irritation or sensitization; IFRA guidelines should be consulted for safe use in fragrances.
• Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered in manufacturing settings.

Risk profiles may vary 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

(Z)-13-hexadecen-11-yn-1-yl acetate is valued for its ability to enhance and modify existing flavor and fragrance profiles without overwhelming them. It synergizes well with other fruity and floral notes, providing a nuanced complexity. Formulators should be cautious of overuse, which can lead to an imbalance in the overall composition. It is often under-utilized due to its subtle impact, making it a versatile tool for experienced formulators.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data available for (Z)-13-hexadecen-11-yn-1-yl acetate is limited, with much of the information derived from industry practices rather than peer-reviewed studies. Regulatory and safety data are particularly sparse, necessitating reliance on general safety guidelines and expert judgment. Known data gaps include specific sensory thresholds and detailed toxicological profiles.

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 2026-06-10 08:18:23 GMT (p2)