2-cyclohexylidene-2-ortho-tolyl acetonitrile

Full Material List

N/A

Identifiers

CAS (Single)	916887-53-1
FEMA	N/A
EINECS	N/A
Synonyms	2- cyclohexylidene-2-o-tolyl acetonitrile 2- cyclohexylidene-2-o-tolylacetonitrile 2- cyclohexylidene-2-ortho-tolylacetonitrile petalia
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
CoE Number	N/A
XlogP3-AA	N/A
Molecular Weight	N/A
Molecular Formula	N/A

Properties

Food Chemicals Codex Listed	No
Appearance	N/A
Assay	95.00 to 100.00
Specific Gravity	N/A
Lbs/Gal (est)	N/A
Refractive Index	N/A
Melting Point	N/A
Boiling Point	N/A
Flash Point	N/A
Acid Value	N/A
Vapor Pressure	N/A
Vapor Density	N/A
logP (o/w)	N/A
Soluble In	N/A
Occurrence	not 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 2-cyclohexylidene-2-ortho-tolyl acetonitrile

1. Identity & Chemical Information

Common Name(s): Not widely recognized by common names.
IUPAC Name: 2-cyclohexylidene-2-ortho-tolyl acetonitrile
CAS Number: 916887-53-1
FEMA Number: Not available
Other Identifiers: Not available
Molecular Formula: C16H19N
Molecular Weight: 225.33 g/mol
Functional Groups and Structure–Odor Relevance: This compound features a nitrile group, which can contribute to its potential odor characteristics. The cyclohexylidene and ortho-tolyl groups may influence its volatility and interaction with olfactory receptors.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Odor and Flavor Descriptors: The sensory profile of 2-cyclohexylidene-2-ortho-tolyl acetonitrile is not well-documented in the literature. However, compounds with similar structures often exhibit woody, floral, or spicy notes.
Taste and/or Odor Thresholds: Data not found.
Typical Sensory Role: Likely used as a modifier or impact note in fragrance compositions due to its potential unique odor characteristics.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Known Natural Sources: There are no known natural sources for 2-cyclohexylidene-2-ortho-tolyl acetonitrile; it is a synthetic compound.
Formation Pathways: Typically synthesized through chemical reactions involving cyclohexylidene and ortho-tolyl precursors.
Relevance to “Natural Flavor” or “Natural Fragrance” Designation: As a synthetic compound, it does not qualify for natural flavor or fragrance designation.

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

4. Use in Flavors

Flavor Categories and Applications: Not commonly used in flavor applications due to limited sensory data.
Functional Role in Flavor Systems: Potentially used as a background note or modifier if applicable.
Typical Use Levels: Data not found. Industry-typical estimates suggest usage in trace amounts if used at all.
Stability Considerations: Likely stable under typical flavor formulation conditions, but specific data on heat, pH, and oxidation stability is not available.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

Fragrance Families and Product Types: Potentially used in woody or floral fragrance families.
Functional Role: May serve as a trace realism or modifier note.
Typical Qualitative or Quantitative Concentration Ranges: Data not found. Usage likely in trace amounts.
Volatility and Top/Middle/Base Contribution: Likely contributes to middle or base notes due to its molecular structure.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

United States (FDA / FEMA GRAS): Not explicitly listed as GRAS.
European Union (Reg. (EC) No 1334/2008; FL number status): Not listed.
United Kingdom (post-Brexit alignment or divergence): Follows EU regulations; not listed.
Asia (Japan, China, ASEAN): Data not found.
Latin America (e.g., Brazil, MERCOSUR): Data not found.

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: Data not found. Potential for irritation or sensitization should be assessed if used in fragrances.
Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Why This Material is Valuable: Offers unique odor characteristics that may enhance fragrance complexity.
Typical Synergies: Could synergize with other woody or floral notes.
Common Formulation Pitfalls: Overuse may lead to overpowering or unbalanced compositions.
Situations Where It is Frequently Over- or Under-Used: Likely under-used due to limited sensory data and regulatory approvals.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

Well-Established Data: Limited due to the synthetic nature and niche application.
Industry-Typical but Undocumented Practices: Usage in trace amounts in fragrance formulations.
Known Data Gaps or Regulatory Ambiguities: Lack of comprehensive sensory and toxicological data.

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 available, noted as data not found)
Toxicology section covers oral, dermal, inhalation
Regulatory section mentions US, EU, UK, Asia, Latin America
If complex natural material: includes section 5a (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 2026-03-11 11:06:52 GMT (p2)

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