FlavScents AInsights Entry for 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: 2055
• Other Identifiers: FL No. 09.028
• 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 fruity and floral scent. The phenyl group enhances its aromatic properties, making it a valuable component in both flavor and fragrance formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Isobutyl phenyl acetate is known for its pleasant, fruity, and floral aroma, often described as reminiscent of honey and sweet fruits. It exhibits moderate intensity and diffusion, making it suitable for both impact and background notes in formulations. The compound's odor threshold is relatively low, allowing it to impart noticeable fragrance even at minimal concentrations. Its sensory role is typically as a modifier or enhancer, adding complexity and depth to the overall scent profile.

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. It is not typically associated with "natural flavor" or "natural fragrance" designations due to its synthetic origin. However, it can be used in formulations labeled as "nature-identical" when synthesized to match its natural counterpart.

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

4. Use in Flavors

Isobutyl phenyl acetate is utilized in various flavor categories, including fruit, honey, and floral profiles. It serves as a functional component in flavor systems, enhancing sweetness and adding a fruity nuance. Typical use levels in finished food or beverages range from 1 to 10 ppm, with higher concentrations potentially leading to overpowering effects. It is generally stable under typical food processing conditions, though it may degrade under extreme heat or acidic environments.

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 or impact note, contributing to the top and middle notes of a fragrance composition. Typical concentration ranges in perfumes and personal care products are from 0.1% to 1%, depending on the desired intensity and product type. Its volatility allows it to blend well with other aromatic compounds, enhancing the overall fragrance 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 No. 09.028.
• United Kingdom: Aligns with EU regulations post-Brexit.
• Asia: Approved for use in Japan and China, with specific concentration limits.
• Latin America: Generally accepted in Brazil and MERCOSUR countries, subject to local regulations.

Explicit approvals exist in major markets, though formulators should verify specific country requirements 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 established ADI and MSDI limits, with a favorable margin of safety. Dermal exposure in fragrance applications is generally low-risk, though IFRA guidelines should be consulted to avoid irritation or sensitization. Inhalation exposure is minimal due to its moderate volatility, but occupational safety measures should be observed in manufacturing settings.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Isobutyl phenyl acetate is valued for its ability to enhance sweetness and add complexity to both flavors and fragrances. It synergizes well with other esters and fruity compounds, though care should be taken to avoid overuse, which can lead to an artificial or cloying effect. It is often underutilized in floral compositions, where it can provide a subtle yet impactful enhancement.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

Data on isobutyl phenyl acetate is well-established, with comprehensive sensory and regulatory information available. Industry practices are documented, though some regional regulatory nuances may require further verification. Known data gaps are minimal, primarily related to specific regional approvals.

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 2026-05-25 11:32:21 GMT (p2)