FlavScents AInsights Entry for Isobutyl Isovalerate (CAS: 589-59-3)
1. Identity & Chemical Information
- Common Name(s): Isobutyl isovalerate
- IUPAC Name: 2-methylpropyl 3-methylbutanoate
- CAS Number: 589-59-3
- FEMA Number: 2215
- Other Identifiers: FL No. 09.036
- Molecular Formula: C9H18O2
- Molecular Weight: 158.24 g/mol
- Functional Groups and Structure–Odor Relevance: Isobutyl isovalerate is an ester, characterized by its fruity and sweet odor profile. The ester functional group is crucial for its volatility and odor characteristics, contributing to its use in flavor and fragrance applications.
Citation hooks: FlavScents; PubChem; FEMA
2. Sensory Profile
Isobutyl isovalerate is known for its pleasant fruity aroma, reminiscent of apple and pear, with a sweet, slightly floral undertone. It is often described as having a medium intensity and good diffusion, making it suitable for both flavor and fragrance applications. The odor threshold is relatively low, allowing it to impart noticeable effects even at minimal concentrations. Typically, it serves as an impact note in formulations, providing a fresh and juicy character.
Citation hooks: FlavScents; peer-reviewed sensory literature
3. Natural Occurrence & Formation
Isobutyl isovalerate occurs naturally in various fruits, including apples, pears, and strawberries. It is formed through esterification reactions, where isobutanol reacts with isovaleric acid. This compound is often used to enhance the "natural flavor" designation in products due to its presence in natural sources.
Citation hooks: FlavScents; food chemistry literature; EFSA/JECFA monographs
4. Use in Flavors
Isobutyl isovalerate is widely used in the flavor industry, particularly in fruit-flavored products such as candies, beverages, and baked goods. It functions as a flavor enhancer, providing a fresh and juicy note. Typical use levels in finished products range from 1 to 20 ppm, with higher concentrations used in more robust flavor profiles. It is generally stable under typical processing conditions, although it may degrade under extreme heat or acidic conditions.
Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature
5. Use in Fragrances
In the fragrance industry, isobutyl isovalerate is utilized in various fragrance families, including fruity and floral compositions. It acts as a modifier, adding freshness and a sweet, fruity note. Concentration ranges in formulations are typically low, often less than 1%, due to its potent odor. It contributes primarily to the top and middle notes due to its moderate volatility.
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 09.036.
- 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 and harmonized assumptions are common, though country-specific variations may exist.
Citation hooks: FEMA; EFSA; national authority publications
7. Toxicology, Safety & Exposure Considerations
- Oral Exposure: Considered safe for use in food products with an ADI established by FEMA. The margin of safety is generally high due to low use levels.
- Dermal Exposure: Low risk of irritation or sensitization, supported by IFRA guidelines.
- Inhalation Exposure: Minimal occupational hazards due to low volatility and use concentrations.
Risk profiles are similar across food and fragrance applications, with no significant differences noted.
Citation hooks: EFSA; FEMA; PubChem; toxicology literature
8. Practical Insights for Formulators
Isobutyl isovalerate is valued for its ability to impart a fresh, fruity character to both flavors and fragrances. It synergizes well with other esters and fruity compounds, enhancing overall product appeal. Formulators should be cautious of overuse, which can lead to an overpowering sweetness. It is often underutilized in complex formulations where subtlety is desired.
Citation hooks: FlavScents; industry practice
9. Confidence & Data Quality Notes
Data on isobutyl isovalerate is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though some regional regulatory nuances may require further verification.
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 2026-01-22 13:39:03 GMT (p2)
