FlavScents AInsights Entry for 1,3,5,7-Cyclooctatetraene (CAS: 629-20-9)

1. Identity & Chemical Information

• Common Name(s): Cyclooctatetraene
• IUPAC Name: Cycloocta-1,3,5,7-tetraene
• CAS Number: 629-20-9
• FEMA Number: Not applicable
• Other Identifiers: Not applicable
• Molecular Formula: C8H8
• Molecular Weight: 104.15 g/mol

1,3,5,7-Cyclooctatetraene is a cyclic hydrocarbon characterized by alternating single and double bonds, forming a non-aromatic ring. Its structure is notable for its non-planarity, which affects its chemical reactivity and sensory properties. The presence of conjugated double bonds can influence its odor profile, although it is not typically used for its scent.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

1,3,5,7-Cyclooctatetraene is not commonly used for its sensory properties in flavors or fragrances. It is primarily of interest in chemical synthesis and research contexts. As such, detailed odor and flavor descriptors, as well as taste and odor thresholds, are not well-documented in the literature. Its role in sensory applications, if any, would likely be as a chemical intermediate rather than a direct contributor to flavor or fragrance profiles.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

1,3,5,7-Cyclooctatetraene does not occur naturally in significant quantities and is typically synthesized for industrial and research purposes. It is not associated with natural flavor or fragrance designations. The compound is usually produced through chemical synthesis methods, such as the dehydrogenation of cyclooctane or via the Reppe synthesis involving acetylene.

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

4. Use in Flavors

Due to its chemical nature and lack of desirable sensory characteristics, 1,3,5,7-cyclooctatetraene is not used in flavor formulations. It does not contribute to flavor categories or applications and is not included in flavor systems. Consequently, there are no typical use levels or stability considerations relevant to flavor applications.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

Similarly, 1,3,5,7-cyclooctatetraene is not utilized in fragrance formulations. It does not belong to any fragrance families and does not serve a functional role in fragrance products. Its volatility and contribution to fragrance profiles are not documented, as it is not used for its olfactory properties.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

1,3,5,7-Cyclooctatetraene is primarily regulated as a chemical substance rather than a flavor or fragrance ingredient.

• United States: Not listed as a FEMA GRAS substance for flavor use.
• European Union: Not included in Regulation (EC) No 1334/2008 for flavoring substances.
• United Kingdom: Follows EU regulations post-Brexit, with no specific listing for flavor or fragrance use.
• Asia: No specific approvals or listings for flavor or fragrance use in Japan, China, or ASEAN countries.
• Latin America: No specific regulatory status for flavor or fragrance use in Brazil or MERCOSUR countries.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

1,3,5,7-Cyclooctatetraene is primarily of concern in industrial and laboratory settings due to its chemical reactivity and potential health effects upon exposure.

• Oral Exposure: Not applicable for flavor use; no ADI, TTC, or MSDI values are established.
• Dermal Exposure: Not relevant for fragrance use; no IFRA guidelines due to non-use in fragrances.
• Inhalation Exposure: Volatile and potentially hazardous in occupational settings; appropriate safety measures should be taken to minimize inhalation risks.

The risk profiles for food and fragrance applications are not applicable due to the compound's non-use in these areas.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

1,3,5,7-Cyclooctatetraene is not used in flavor or fragrance formulations, so practical insights for formulators are limited. Its value lies in its role as a chemical intermediate in synthetic chemistry rather than as a direct ingredient in consumer products. Formulators should be aware of its chemical properties and handle it with appropriate safety precautions in industrial contexts.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 1,3,5,7-cyclooctatetraene is well-established in terms of its chemical properties and industrial applications. However, its lack of use in flavors and fragrances means there is limited sensory and regulatory data specific to these fields. Industry practices do not typically involve this compound in flavor or fragrance formulations.

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 (not applicable)
• Toxicology section covers oral, dermal, inhalation
• Regulatory section mentions US, EU, UK, Asia, Latin America
• If complex natural material: includes section 5a (not applicable)

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 2026-02-12 07:25:41 GMT (p2)