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

Common Name(s): 1-methyl-1,4-cyclohexadiene
IUPAC Name: 1-methyl-1,4-cyclohexadiene
CAS Number: 4313-57-9
FEMA Number: Not applicable
Other Identifiers: Not available
Molecular Formula: C7H10
Molecular Weight: 94.15 g/mol

1-methyl-1,4-cyclohexadiene is a monocyclic hydrocarbon with a methyl group attached to a cyclohexadiene ring. The presence of the conjugated diene system contributes to its reactivity and potential odor characteristics. The compound's structure suggests it may have a role in providing a certain aromatic profile, although specific odor relevance is not well-documented.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

1-methyl-1,4-cyclohexadiene is not widely characterized in terms of sensory attributes. Its potential odor descriptors could include notes typical of cyclic hydrocarbons, such as mild, sweet, or slightly floral, but specific sensory data is limited. The compound's role in formulations is likely minor, serving as a background note or modifier rather than a primary impact note.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

1-methyl-1,4-cyclohexadiene is not commonly found in nature and is typically synthesized for research or industrial purposes. Its formation in natural settings is not well-documented, and it does not have a significant role in natural flavor or fragrance designations. The compound is more likely to be encountered as a synthetic intermediate in chemical processes.

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

4. Use in Flavors

The use of 1-methyl-1,4-cyclohexadiene in flavor applications is not well-established. It is not a common flavoring agent and lacks specific documentation regarding its functional role or typical use levels in food and beverages. Stability considerations, such as sensitivity to heat and oxidation, would need to be evaluated if considered for flavor formulations.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, 1-methyl-1,4-cyclohexadiene may be used as a minor component or modifier. Its volatility suggests it could contribute to the top notes of a fragrance, although specific fragrance families or product types utilizing this compound are not well-documented. Concentration ranges are not clearly reported, indicating its use is likely limited and specialized.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

United States: Not explicitly listed as GRAS by FEMA.
European Union: Not specifically listed under Regulation (EC) No 1334/2008.
United Kingdom: No specific post-Brexit regulatory status identified.
Asia: Limited information available; not commonly used in regulated flavor or fragrance applications.
Latin America: No specific regulatory status identified.

Overall, 1-methyl-1,4-cyclohexadiene does not have a prominent regulatory profile, reflecting its limited use in consumer products.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Oral Exposure: Data not found; not typically used in food applications.
Dermal Exposure: Limited data; potential for irritation or sensitization not well-documented.
Inhalation Exposure: Volatility suggests potential for inhalation exposure, but specific occupational safety data is lacking.

The compound's safety profile is not well-characterized, and formulators should proceed with caution, verifying safety data and exposure limits where applicable.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

1-methyl-1,4-cyclohexadiene may offer niche value in formulations requiring specific hydrocarbon profiles. Its use is likely limited to specialized applications where its chemical properties can be leveraged. Formulators should be aware of its potential reactivity and ensure compatibility with other formulation components.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 1-methyl-1,4-cyclohexadiene is sparse, with limited sensory and regulatory information available. Industry practices involving this compound are not well-documented, and there are significant data gaps regarding its use and safety.

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 (not applicable due to lack of data)
Toxicology section covers oral, dermal, inhalation
Regulatory section mentions US, EU, UK, Asia, Latin America
If complex natural material: includes section 5a (not applicable)

This entry has been reviewed for completeness and accuracy based on available data.

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 2026-01-22 09:56:36 GMT (p2)

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