FlavScents AInsights Entry: Isobutyl Phenyl Acetate (CAS: 102-13-6)

1. Identity & Chemical Information

• Common Name(s): Isobutyl phenyl acetate
• IUPAC Name: 2-methylpropyl 2-phenylacetate
• CAS Number: 102-13-6
• FEMA Number: 2210
• Other Identifiers: FL No. 09.038
• Molecular Formula: C12H16O2
• Molecular Weight: 192.26 g/mol

Isobutyl phenyl acetate is an ester compound characterized by the presence of an acetate group linked to a phenyl ring. The ester functional group is crucial for its odor profile, contributing to its sweet, floral, and fruity scent. The molecular structure allows for moderate volatility, making it suitable for both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Isobutyl phenyl acetate is known for its sweet, floral, and fruity aroma, often described as reminiscent of honey and rose. It exhibits moderate intensity and diffusion, making it a versatile component in both flavor and fragrance formulations. The compound is typically used as an impact note, providing a distinct character to the overall sensory profile. Specific taste and odor thresholds are not well-documented, but its sensory impact is well-recognized in industry applications.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Isobutyl phenyl acetate is not commonly found in nature but can be synthesized through esterification processes involving phenylacetic acid and isobutanol. This synthetic pathway is crucial for its designation as a "nature-identical" flavor or fragrance compound, allowing 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

Isobutyl phenyl acetate is utilized in a variety of flavor categories, including fruit, floral, and honey profiles. It serves as a functional impact note, enhancing the sweetness and floral characteristics of flavor systems. Typical use levels in finished food or beverage products range from 1 to 10 ppm, with higher concentrations potentially leading to overpowering effects. The compound is stable under typical food processing conditions, including moderate heat and pH variations, but may be susceptible to oxidation over time.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, isobutyl phenyl acetate is incorporated into floral and fruity fragrance families. It acts as a modifier and impact note, contributing to the top and middle notes of a fragrance composition. Typical concentration ranges in fragrance formulations are from 0.1% to 1%, depending on the desired intensity and product type. Its moderate volatility allows it to blend well with other fragrance components, providing a balanced scent profile.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Recognized as GRAS by FEMA for flavor use.
• European Union: Approved under Regulation (EC) No 1334/2008 with FL number 09.038.
• United Kingdom: Follows EU regulations post-Brexit with no significant divergence reported.
• Asia: Approved for use in Japan and China, with specific concentration limits varying by country.
• Latin America: Generally accepted in Brazil and MERCOSUR countries, subject to local regulations.

Explicit approvals and harmonized assumptions are common, but formulators should verify specific country regulations due to potential variability.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, isobutyl phenyl acetate is considered safe within the typical use levels in food, with no specific ADI established. Dermal exposure in fragrance applications is generally safe, but formulators should consider potential sensitization in sensitive individuals. Inhalation exposure is minimal due to its moderate volatility, but occupational safety measures should be in place during manufacturing. The risk profiles for food and fragrance applications are similar, with no significant differences noted.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Isobutyl phenyl acetate is valued for its ability to impart a sweet, floral character to both flavors and fragrances. It synergizes well with other esters and floral compounds, enhancing the overall sensory experience. Common pitfalls include overuse, leading to an overpowering scent or flavor, and underuse, resulting in a lack of desired impact. Formulators should balance its concentration carefully to achieve the optimal sensory profile.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on isobutyl phenyl acetate is well-established, with comprehensive documentation available from authoritative sources. Industry practices are well-documented, though some specific sensory thresholds and regional regulatory nuances may require further verification. Known data gaps are minimal, with most information readily accessible through standard industry references.

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 2026-02-07 20:51:40 GMT (p2)