AInsights Entry for 3-methyl-2-butanol (CAS: 598-75-4)

1. Identity & Chemical Information

3-methyl-2-butanol, also known as isoamyl alcohol, is a chemical compound with the IUPAC name 3-methylbutan-2-ol. It is identified by the CAS number 598-75-4. The molecular formula for 3-methyl-2-butanol is C5H12O, and it has a molecular weight of 88.15 g/mol. This compound is characterized by its hydroxyl functional group, which contributes to its alcohol-like odor. The structure-odor relevance is significant as the branching in the carbon chain influences its volatility and sensory properties.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3-methyl-2-butanol is known for its distinctive odor, often described as alcoholic, fruity, and slightly pungent. It has a moderate intensity and is commonly used as an impact note in flavor compositions. The compound's diffusion is relatively high, making it noticeable even at low concentrations. While specific taste and odor thresholds are not widely documented, it is typically used to impart a realistic alcoholic note in flavor systems.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound naturally occurs in various fruits and is a byproduct of fermentation processes. It is commonly found in alcoholic beverages such as beer and wine, where it contributes to the overall flavor profile. The formation of 3-methyl-2-butanol can occur through the enzymatic degradation of amino acids during fermentation, making it relevant for "natural flavor" designations when derived from such processes.

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

4. Use in Flavors

3-methyl-2-butanol is utilized in a variety of flavor categories, including alcoholic, fruity, and confectionery flavors. It serves as a functional component to enhance the realism of alcoholic notes in non-alcoholic beverages and food products. Typical use levels in finished products range from 1 to 50 ppm, with higher concentrations potentially leading to overpowering effects. The compound is relatively stable under typical food processing conditions but may degrade under extreme heat or acidic environments.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In the fragrance industry, 3-methyl-2-butanol is used in formulations for its ability to impart a fresh, fruity note. It is commonly found in fragrance families such as fruity and floral compositions. The compound acts as a modifier and can be used in trace amounts to enhance the overall scent profile. Its volatility classifies it as a top note, contributing to the initial impression of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, 3-methyl-2-butanol is recognized as Generally Recognized As Safe (GRAS) by FEMA for flavor use. In the European Union, it is regulated under Regulation (EC) No 1334/2008 and has an assigned FL number. The United Kingdom follows similar regulations post-Brexit. In Asia, including Japan and China, it is generally accepted in flavor applications, though specific regulations may vary. In Latin America, countries like Brazil and those in MERCOSUR also permit its use, aligning with international standards.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, 3-methyl-2-butanol is considered safe at typical flavor use levels, with no specific ADI established. Dermal exposure in fragrance applications is generally low risk, but IFRA guidelines should be consulted to avoid irritation or sensitization. Inhalation exposure, particularly in occupational settings, should be monitored due to its volatility, though it is not classified as hazardous under normal use conditions. 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

3-methyl-2-butanol is valued for its ability to impart authentic alcoholic notes in both flavors and fragrances. It synergizes well with other fruity and floral compounds, enhancing complexity and depth. Formulators should be cautious of its potency, as overuse can lead to overpowering effects. It is often under-utilized in non-alcoholic applications where a subtle alcoholic note is desired.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3-methyl-2-butanol is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific sensory thresholds may require further research. Regulatory ambiguities are minimal, with harmonized standards across major regions.

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 2026-08-25 23:24:24 GMT (p2)