FlavScents AInsights Entry for 2-ethyl-1-hexanol (CAS: 104-76-7)

1. Identity & Chemical Information

2-ethyl-1-hexanol, also known as isooctanol, is a branched-chain fatty alcohol with the IUPAC name 2-ethylhexan-1-ol. It is identified by the CAS number 104-76-7 and has a FEMA number of 3155. The molecular formula for 2-ethyl-1-hexanol is C8H18O, and it has a molecular weight of 130.23 g/mol. This compound features a hydroxyl group (-OH) attached to a branched alkyl chain, which contributes to its moderate polarity and ability to participate in hydrogen bonding. The structure-odor relevance is significant as the alcohol group imparts a mild, slightly floral odor, making it useful in both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

2-ethyl-1-hexanol is characterized by a mild, slightly floral odor with a hint of citrus and green notes. It is often described as having a fresh, sweet, and slightly fatty scent. The compound's odor threshold is relatively low, allowing it to impart a noticeable aroma even at low concentrations. In flavor applications, it serves as a background note, enhancing the overall realism and complexity of the flavor profile. Its sensory role is typically as a modifier, providing subtle enhancements to the primary flavor or fragrance.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

2-ethyl-1-hexanol is not commonly found in nature but can be produced through the oxo process, which involves the hydroformylation of propylene followed by hydrogenation. It is not typically associated with natural flavor or fragrance designations due to its synthetic origin. However, it can be used in formulations labeled as "nature-identical" when it matches the chemical structure of naturally occurring counterparts.

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

4. Use in Flavors

In flavor applications, 2-ethyl-1-hexanol is used across various categories, including fruit, floral, and green flavors. It acts as a functional modifier, enhancing the freshness and authenticity of the flavor profile. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, with higher concentrations potentially leading to overpowering or off-notes. It is relatively stable under normal processing conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

2-ethyl-1-hexanol is utilized in a wide range of fragrance families, including floral, green, and citrus compositions. It serves as a modifier or impact note, contributing to the freshness and complexity of the fragrance. Typical concentration ranges in fragrance formulations are from 0.1% to 2%, depending on the desired intensity and character. Its volatility allows it to contribute primarily to the top and middle notes of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, 2-ethyl-1-hexanol is recognized as GRAS (Generally Recognized As Safe) 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 for use in flavors and fragrances, though specific regulations may vary. In Latin America, countries like Brazil and those in MERCOSUR typically align with international standards, but local regulations should be consulted.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, 2-ethyl-1-hexanol has a low acute toxicity, with an acceptable daily intake (ADI) not clearly established but considered safe at typical use levels. Dermal exposure in fragrance applications is generally safe, though it may cause mild irritation in sensitive individuals. It is not classified as a sensitizer by IFRA. Inhalation exposure is considered low risk due to its moderate volatility, but occupational exposure limits should be observed in manufacturing settings. 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

2-ethyl-1-hexanol is valued for its ability to enhance the freshness and complexity of both flavors and fragrances. It synergizes well with other alcohols and esters, providing a balanced and nuanced profile. Formulators should be cautious of overuse, as excessive concentrations can lead to overpowering or undesirable notes. It is often underutilized in complex formulations where its subtle contributions can significantly enhance the overall profile.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 2-ethyl-1-hexanol is well-established, with comprehensive sensory and regulatory information available. Industry practices are well-documented, though specific use levels may vary based on formulation goals. Some data gaps exist in the precise quantification of sensory thresholds and long-term exposure effects, but these are not considered significant barriers to its use.

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 2026-04-14 18:07:27 GMT (p2)