FlavScents AInsights Entry for 3-Octyl Acetate (CAS: 4864-61-3)

1. Identity & Chemical Information

• Common Name(s): 3-Octyl Acetate
• IUPAC Name: Octyl acetate
• CAS Number: 4864-61-3
• FEMA Number: Not available
• Other Identifiers: FL number not available, CoE number not available, IFRA reference not available
• Molecular Formula: C10H20O2
• Molecular Weight: 172.27 g/mol

3-Octyl acetate is an ester formed from octanol and acetic acid. The functional group of esters is known for contributing to fruity and floral odors, which is relevant to its use in flavors and fragrances. The structure of 3-octyl acetate, with its long carbon chain, influences its volatility and sensory characteristics, making it a valuable component in various formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3-Octyl acetate is characterized by a fruity, sweet, and slightly floral odor, reminiscent of orange and pear. It is often used to impart a fresh, juicy note in flavor compositions. The intensity of its aroma is moderate, providing a balanced diffusion that can enhance the overall sensory profile of a product without overwhelming other components. Specific taste and odor thresholds are not clearly reported, but it is typically used as an impact note in both flavor and fragrance formulations.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

3-Octyl acetate is not commonly found in nature but can be synthesized through the esterification of octanol with acetic acid. This reaction is a typical pathway for producing esters used in flavor and fragrance industries. While it can be part of natural flavor compositions, its synthetic origin is more prevalent in commercial applications. Its designation as a "natural flavor" or "natural fragrance" depends on the source of the octanol and the production process.

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

4. Use in Flavors

3-Octyl acetate is used in various flavor categories, including fruit, citrus, and tropical profiles. It serves as an impact note, adding freshness and juiciness to flavor systems. Typical use levels in finished food or beverage products range from 1 to 10 ppm, with higher concentrations potentially leading to an overpowering effect. It is generally stable under normal processing conditions but may degrade under extreme heat or acidic environments.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrances, 3-octyl acetate is utilized in floral, fruity, and fresh compositions. It acts as a modifier, enhancing the realism of fruit notes and providing a subtle sweetness. Concentration ranges in fragrance products are typically low, often less than 1%, due to its potent aroma. Its volatility allows it to contribute primarily to the top and middle notes of a fragrance, offering a refreshing burst that complements other ingredients.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not explicitly listed as FEMA GRAS; usage should comply with general safety standards.
• European Union: Not specifically listed under Reg. (EC) No 1334/2008; assumed safe under general flavoring regulations.
• United Kingdom: Follows EU regulations post-Brexit; no specific divergence noted.
• Asia: Limited specific data; generally follows international safety standards.
• Latin America: No specific data; assumed to follow international norms.

Explicit approvals for 3-octyl acetate are limited, and its use is generally governed by harmonized safety assumptions. Formulators should verify compliance with local regulations.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

• Oral Exposure: Data not found for specific ADI or MSDI; generally considered safe at typical flavor use levels.
• 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.

The risk profile for 3-octyl acetate does not significantly differ between food and fragrance applications, but formulators should ensure compliance with relevant safety standards.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

3-Octyl acetate is valued for its ability to impart a fresh, fruity note that enhances the sensory appeal of both flavors and fragrances. It synergizes well with other esters and fruity compounds, but care should be taken to avoid overuse, which can lead to an artificial or cloying effect. Formulators should consider its volatility and potential interactions with other ingredients to optimize its impact.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3-octyl acetate is well-established in terms of its sensory characteristics and general use in formulations. However, specific regulatory approvals and toxicological data are less documented, requiring formulators to rely on industry-typical practices and general safety guidelines.

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 2026-03-13 12:34:07 GMT (p2)