FlavScents AInsights Entry: Methyl Heptine Carbonate (CAS: 111-12-6)

1. Identity & Chemical Information

• Common Name(s): Methyl Heptine Carbonate
• IUPAC Name: Methyl oct-2-ynoate
• CAS Number: 111-12-6
• FEMA Number: 2704
• Other Identifiers: FL No. 09.034
• Molecular Formula: C9H14O2
• Molecular Weight: 154.21 g/mol

Methyl heptine carbonate is characterized by its ester functional group, which contributes to its distinctive odor profile. The presence of the triple bond in its structure is significant for its reactivity and sensory attributes, often imparting a sharp, fresh note.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Methyl heptine carbonate is known for its unique sensory characteristics. It possesses a sharp, green, and slightly fruity odor, often described as reminiscent of fresh cut grass or green apple. The intensity of its odor is moderate, making it suitable for use as an impact note in formulations. Its diffusion is relatively high, allowing it to be perceived quickly upon exposure.

The taste and odor thresholds for methyl heptine carbonate are not well-documented, but it is typically used in low concentrations due to its potent sensory impact. It serves as a modifier in both flavor and fragrance compositions, enhancing freshness and adding complexity.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Methyl heptine carbonate is not commonly found in nature and is primarily synthesized for use in flavor and fragrance applications. Its formation involves the esterification of heptynoic acid with methanol, a process that can be controlled to produce high-purity material suitable for commercial use.

Due to its synthetic origin, methyl heptine carbonate does not qualify for "natural flavor" or "natural fragrance" designations under most regulatory frameworks. However, its unique sensory properties make it a valuable component in creating natural-like profiles in synthetic formulations.

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

4. Use in Flavors

Methyl heptine carbonate is utilized in various flavor categories, including fruit, green, and herbal profiles. It functions as a top note, providing freshness and enhancing the overall complexity of flavor systems. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, with industry-typical concentrations around 1 ppm.

Stability considerations for methyl heptine carbonate include its moderate resistance to heat and pH variations, although it may be susceptible to oxidation. Formulators should consider antioxidant systems to preserve its sensory integrity in long-shelf-life products.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, methyl heptine carbonate is valued for its contribution to green and fresh accords. It is commonly used in floral, citrus, and herbal fragrance families, where it acts as a modifier or impact note. Typical concentration ranges in fragrance formulations are from 0.01% to 0.1%, depending on the desired intensity and product type.

Methyl heptine carbonate is a volatile compound, contributing primarily to the top notes of a fragrance. Its fresh, green character is often used to enhance the realism and brightness of a composition.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

• United States: Methyl heptine carbonate is approved for use as a flavoring agent under FEMA GRAS status.
• European Union: It is listed under Regulation (EC) No 1334/2008 with an assigned FL number, indicating its acceptance for use in food flavorings.
• United Kingdom: Post-Brexit, the regulatory status aligns with the EU framework, maintaining its approval for flavor use.
• Asia: In Japan and China, methyl heptine carbonate is permitted for use in flavors, although specific concentration limits may apply.
• Latin America: Countries like Brazil and those in MERCOSUR generally follow international guidelines, allowing its use in flavors and fragrances.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, methyl heptine carbonate is considered safe within the typical use levels in food and beverages, with no specific ADI or MSDI established. Its safety profile is supported by its FEMA GRAS status.

Dermal exposure in fragrance applications is generally well-tolerated, with no significant reports of irritation or sensitization. However, formulators should adhere to IFRA guidelines to ensure consumer safety.

Inhalation exposure is primarily relevant in occupational settings, where adequate ventilation and protective measures should be implemented to minimize risks associated with its volatility.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Methyl heptine carbonate is prized for its ability to impart a fresh, green character to both flavors and fragrances. It synergizes well with other green and fruity notes, enhancing their naturalness and complexity. Formulators should be cautious of its potent impact, as overuse can lead to an overpowering or artificial perception.

Common pitfalls include its potential for oxidation, which can alter its sensory profile. Incorporating antioxidants or using encapsulation techniques can mitigate this risk.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on methyl heptine carbonate is well-established, particularly regarding its sensory attributes and regulatory status. While specific numeric thresholds for taste and odor are not extensively documented, industry practices provide reliable guidance for its use. Known data gaps include detailed toxicological studies, which are supplemented by its long history of safe 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
• Section 5a is not applicable as methyl heptine carbonate is a single compound

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 2026-02-09 16:23:12 GMT (p2)