FlavScents AInsights Entry for (±)-2,4-dimethyl hexane (CAS: 589-43-5)

1. Identity & Chemical Information

• Common Name(s): (±)-2,4-dimethyl hexane
• IUPAC Name: 2,4-dimethylhexane
• CAS Number: 589-43-5
• FEMA Number: Not applicable
• Other Identifiers: Not applicable
• Molecular Formula: C8H18
• Molecular Weight: 114.23 g/mol

(±)-2,4-dimethyl hexane is a branched alkane with two methyl groups attached to the second and fourth carbon atoms of a hexane chain. This structural configuration contributes to its specific odor characteristics, which are relevant in both flavor and fragrance applications. The lack of functional groups such as alcohols or ketones means it primarily contributes to the overall volatility and diffusion properties in formulations.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

(±)-2,4-dimethyl hexane is characterized by a mild, gasoline-like odor with a slight hint of sweetness. Its sensory profile is not typically intense, making it more suitable as a background note rather than a primary impact odorant. The compound's diffusion is moderate, allowing it to blend well with other aliphatic hydrocarbons in complex formulations. Specific taste or odor thresholds are not well-documented, but its role is often as a subtle modifier in both flavor and fragrance systems.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound is not commonly found in nature and is primarily synthesized for industrial use. It does not have a significant presence in natural flavor or fragrance materials, which limits its designation as a "natural" ingredient. Its formation is typically through petrochemical processes rather than biological pathways, distinguishing it from naturally occurring alkanes that might be found in essential oils or plant extracts.

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

4. Use in Flavors

In flavor applications, (±)-2,4-dimethyl hexane is used sparingly due to its subtle sensory impact. It can be found in flavor systems where a slight enhancement of aliphatic notes is desired, such as in certain fruit or nut profiles. Typical use levels are not well-documented, but industry practices suggest concentrations below 10 ppm in finished products to avoid overpowering other flavor components. Its stability under heat and neutral pH conditions makes it a reliable component in processed foods.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance formulations, (±)-2,4-dimethyl hexane is utilized for its ability to impart a subtle, clean, and slightly sweet note. It is often included in the creation of fresh, outdoor, or marine-themed fragrances. The compound typically acts as a top note due to its volatility, contributing to the initial impression of the fragrance. Concentration ranges are generally low, often less than 0.1% of the total fragrance composition, to maintain balance with other more dominant notes.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Not specifically listed under FEMA GRAS; usage in flavors should comply with general safety standards.
• European Union: Not explicitly listed under Regulation (EC) No 1334/2008; assumed safe under general flavoring guidelines.
• United Kingdom: Follows EU regulations post-Brexit with no specific divergence noted.
• Asia: Limited specific regulatory information; generally follows international safety standards.
• Latin America: No specific regulations identified; assumed to follow international norms.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

The safety profile of (±)-2,4-dimethyl hexane is primarily evaluated through its exposure routes. Oral exposure in flavor applications is considered low risk at typical use levels, with no specific ADI or MSDI established. Dermal exposure in fragrance use is generally safe, with no significant irritation or sensitization reported. Inhalation exposure is minimal due to its low volatility and typical use concentrations. Overall, the risk profile does not significantly differ between food and fragrance applications.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

(±)-2,4-dimethyl hexane is valued for its ability to subtly enhance aliphatic notes without dominating a formulation. It synergizes well with other hydrocarbons and can help in creating a balanced, fresh profile. Formulators should be cautious of overuse, as its gasoline-like odor can become undesirable at higher concentrations. It is often under-utilized due to its subtlety, but when used judiciously, it can add depth and realism to both flavors and fragrances.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on (±)-2,4-dimethyl hexane is well-established in terms of its chemical identity and basic sensory characteristics. However, specific use levels and regulatory details are less documented, relying on industry-typical practices. Known data gaps include precise sensory thresholds and comprehensive regulatory approvals across all 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
• Not a complex natural material, so section 5a is not applicable

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 2026-09-28 01:20:54 GMT (p2)