1-methyl-1,4-cyclohexadiene

Full Material List

1-methylcyclohexa-1,4-diene

Identifiers

CAS (Single)	4313-57-9
FEMA	N/A
EINECS	224-329-6
Synonyms	cyclohexa-1,4-diene, 1-methyl- 1,4- cyclohexadiene, 1-methyl- 2,5- dihydrotoluene 1- methyl cyclohexa-1,4-diene 1- methylcyclohexa-1,4-diene
JECFA Food Flavoring	N/A
JECFA Food Additive	N/A
DG SANTE Food Flavourings	N/A
DG SANTE Food Contact Materials	N/A
FDA UNII	C2C4JK5I2M
CoE Number	N/A
XlogP3-AA	N/A
Molecular Weight	94.1567
Molecular Formula	C7 H10

Properties

Food Chemicals Codex Listed	No
Appearance	N/A
Assay	95.00 to 100.00
Specific Gravity	0.84600 to 0.85000 @ 20.00 °C.
Lbs/Gal (est)	7.048 to 7.081
Refractive Index	1.47000 to 1.47300 @ 20.00 Â°C.
Melting Point	N/A
Boiling Point	114.00 to 115.00 Â°C. @ 760.00 mm Hg
Flash Point	51.00 Â°F. TCC ( 10.56 Â°C. )
Acid Value	N/A
Vapor Pressure	26.521999 mmHg @ 25.00 Â°C. (est)
Vapor Density	N/A
logP (o/w)	2.970 (est)
Soluble In	water, 54.36 mg/L @ 25 °C (est)
Occurrence	found in nature

Organoleptic

Organoleptic Notes	Odor and/or flavor descriptions from others (if found).
Odor	N/A
Flavor	N/A

AInsights BETA

FlavScents AInsights Entry for 1-methyl-1,4-cyclohexadiene (CAS: 4313-57-9)

1. Identity & Chemical Information

1-methyl-1,4-cyclohexadiene is a chemical compound with the IUPAC name 1-methylcyclohexa-1,4-diene. It is registered under the CAS number 4313-57-9. This compound does not have a FEMA number assigned. The molecular formula is C7H10, and it has a molecular weight of 94.15 g/mol. Structurally, it is a cyclohexadiene with a methyl group attached, which influences its odor characteristics. The presence of the conjugated diene system is significant for its reactivity and potential odor profile.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

1-methyl-1,4-cyclohexadiene is characterized by a mild, sweet, and slightly citrus-like odor. Its sensory profile is often described as having moderate intensity with a fresh, clean character. The compound is typically used as a background note or modifier in fragrance compositions, contributing to the overall freshness and complexity of the scent. Specific odor thresholds are not well-documented, but it is generally considered to have a moderate diffusion rate.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound is not commonly found in nature and is primarily synthesized for use in fragrances and flavors. It can be formed through synthetic organic chemistry processes, often involving the cyclization of linear precursors. Its role in natural flavor or fragrance designations is limited due to its synthetic origin, although it can be used in formulations labeled as "nature-identical."

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

4. Use in Flavors

1-methyl-1,4-cyclohexadiene is used in flavor formulations to impart a fresh, citrus-like note. It is applicable in various flavor categories, including citrus and herbal blends. The compound serves as a modifier, enhancing the brightness and complexity of the flavor profile. Typical use levels in finished food or beverage products range from 1 to 10 ppm, with higher concentrations potentially leading to overpowering effects. It 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, 1-methyl-1,4-cyclohexadiene is utilized in a variety of fragrance families, including citrus, green, and fresh compositions. It acts as a modifier or impact note, providing a fresh, clean top note that enhances the overall fragrance profile. Typical concentration ranges in fragrance formulations are from 0.1% to 1%, depending on the desired intensity and product type. The compound is volatile, contributing primarily to the top notes of a fragrance.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, 1-methyl-1,4-cyclohexadiene is not explicitly listed as GRAS by FEMA, and its use in flavors and fragrances is subject to general safety evaluations. In the European Union, it falls under the general provisions of Regulation (EC) No 1334/2008, with no specific FL number assigned. The regulatory status in the United Kingdom aligns with the EU post-Brexit. In Asia, including Japan and China, and Latin America, such as Brazil and MERCOSUR, the compound is subject to regional safety assessments and approvals, with no specific prohibitions noted.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

The safety profile of 1-methyl-1,4-cyclohexadiene is primarily evaluated through its potential exposure routes. For oral exposure in flavor use, specific ADI or MSDI values are not established, but it is generally used at low concentrations. Dermal exposure in fragrance applications suggests low irritation potential, although sensitization data is limited. Inhalation exposure considerations are relevant due to its volatility, with occupational safety measures recommended to minimize inhalation risks. Overall, the risk profiles for food and fragrance applications are similar, with low exposure levels typically ensuring safety.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

1-methyl-1,4-cyclohexadiene is valued for its ability to impart a fresh, citrus-like note in both flavors and fragrances. It synergizes well with other citrus and green notes, enhancing the overall brightness and complexity of formulations. Common pitfalls include overuse, which can lead to an overpowering effect, and instability under extreme conditions. Formulators often use it to add a clean, fresh top note, ensuring it is balanced with other components to achieve the desired sensory profile.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 1-methyl-1,4-cyclohexadiene is well-established in terms of its chemical identity and sensory characteristics. However, specific regulatory approvals and toxicological data are less documented, relying on industry-typical practices and general safety evaluations. Known data gaps include detailed toxicological studies and specific regulatory listings in some 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 2026-09-28 02:28:12 GMT (p2)

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