FlavScents AInsights Entry for 1-phenyl-2,4-pentadiyn-1-one (CAS: 29743-36-0)

1. Identity & Chemical Information

1-phenyl-2,4-pentadiyn-1-one is a synthetic compound known for its unique chemical structure and potential applications in flavor and fragrance industries. The IUPAC name for this compound is 1-phenylpenta-2,4-diyn-1-one. It is registered under the CAS number 29743-36-0. Currently, there is no FEMA number assigned to this compound. The molecular formula is C11H6O, and it has a molecular weight of 154.17 g/mol. The compound features a phenyl group attached to a pentadiynone moiety, which contributes to its distinctive odor profile. The presence of conjugated triple bonds in its structure is significant for its reactivity and sensory characteristics.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

1-phenyl-2,4-pentadiyn-1-one is characterized by a complex sensory profile. It exhibits a sharp, aromatic odor with nuances of floral and spicy notes. The intensity of its odor is moderate to strong, making it suitable for use as an impact note in formulations. The diffusion of the scent is relatively high, allowing it to be perceived quickly upon exposure. While specific taste and odor thresholds are not well-documented, its role as a modifier in both flavor and fragrance compositions is recognized. It is often used to add depth and complexity to formulations, enhancing the overall sensory experience.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

1-phenyl-2,4-pentadiyn-1-one is not known to occur naturally and is typically synthesized for industrial use. Its formation involves chemical synthesis pathways that include the coupling of phenyl groups with diynone structures. Due to its synthetic origin, it does not qualify for "natural flavor" or "natural fragrance" designations under current regulatory frameworks. Its use is primarily confined to artificial and synthetic applications where its unique sensory properties can be leveraged.

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

4. Use in Flavors

In the flavor industry, 1-phenyl-2,4-pentadiyn-1-one is utilized for its ability to impart complex aromatic notes. It is commonly used in spice and floral flavor categories, where it acts as a modifier to enhance the authenticity and richness of the flavor profile. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, depending on the desired intensity and application. These values are industry-typical estimates, as specific documented ranges are not readily available. The compound is relatively stable under normal processing conditions, but care should be taken to avoid excessive heat and oxidation, which may degrade its sensory qualities.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, 1-phenyl-2,4-pentadiyn-1-one is valued for its ability to contribute to floral and spicy fragrance families. It serves as a trace realism enhancer and impact note, providing depth and complexity to the fragrance composition. Typical concentration ranges in fragrance formulations are from 0.01% to 0.1%, depending on the desired effect and product type. The compound is moderately volatile, contributing primarily to the middle notes of a fragrance, where it can enhance the overall olfactory experience.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, 1-phenyl-2,4-pentadiyn-1-one does not have explicit FEMA GRAS status, and its use in flavors and fragrances is subject to general safety evaluations. In the European Union, it is not listed under Regulation (EC) No 1334/2008, and its use must comply with general safety and labeling requirements. The United Kingdom follows similar guidelines post-Brexit. In Asia, including Japan and China, and in Latin America, such as Brazil and MERCOSUR, the compound's use is subject to national regulations, which may vary. Formulators should verify compliance with local regulations before use.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

The safety profile of 1-phenyl-2,4-pentadiyn-1-one is primarily evaluated based on its synthetic nature and potential exposure routes. For oral exposure in flavor applications, specific ADI or MSDI values are not established, and formulators should rely on industry-typical practices and safety assessments. Dermal exposure in fragrance use should consider potential irritation or sensitization, although specific IFRA guidelines are not available. Inhalation exposure is a consideration due to its volatility, and occupational safety measures should be implemented to minimize risks. Overall, the risk profiles may differ between food and fragrance applications, necessitating careful evaluation.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

1-phenyl-2,4-pentadiyn-1-one is a valuable material for its ability to impart unique aromatic qualities to both flavors and fragrances. It synergizes well with other floral and spicy notes, enhancing the complexity of the formulation. Common pitfalls include overuse, which can lead to overpowering sensory profiles, and underuse, which may result in a lack of desired impact. Formulators should carefully balance its concentration to achieve the optimal sensory effect.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 1-phenyl-2,4-pentadiyn-1-one is well-established in terms of its chemical identity and sensory characteristics. However, industry-typical practices often guide its use due to limited specific documentation on regulatory and safety parameters. Known data gaps include precise regulatory approvals and detailed toxicological evaluations, which should be addressed through further research and consultation with regulatory bodies.

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 06:53:39 GMT (p2)