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 (CAS: 916887-53-1)

1. Identity & Chemical Information

Common Name(s): Not widely known by a common name.
IUPAC Name: 2-cyclohexylidene-2-ortho-tolyl acetonitrile
CAS Number: 916887-53-1
FEMA Number: Not applicable
Other Identifiers: No FL number, CoE number, or IFRA reference available.
Molecular Formula: C15H17N
Molecular Weight: 211.31 g/mol
Functional Groups and Structure–Odor Relevance: This compound contains a nitrile group, which can contribute to its odor profile. The cyclohexylidene and ortho-tolyl groups may influence its volatility and sensory characteristics.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Odor and Flavor Descriptors: The compound is characterized by a complex odor profile that may include notes of floral, woody, and slightly spicy nuances. The intensity is moderate, with a diffusion that allows it to act as a background modifier in formulations.
Taste and/or Odor Thresholds: Specific thresholds are not clearly reported in the literature.
Typical Sensory Role: It is often used as a background realism enhancer or a subtle modifier in both flavor and fragrance compositions.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

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

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

4. Use in Flavors

Flavor Categories and Applications: Utilized in a variety of flavor categories, including floral and woody profiles, to enhance complexity.
Functional Role in Flavor Systems: Acts as a modifier and background note, providing depth and subtlety.
Typical Use Levels: Documented use levels are not available; however, industry-typical estimates suggest usage in the range of 0.1 to 5 ppm in finished products.
Stability Considerations: Generally stable under typical processing conditions, but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

Fragrance Families and Product Types: Commonly used in fine fragrances, personal care products, and home care items.
Functional Role: Serves as a trace realism enhancer and a subtle modifier.
Typical Concentration Ranges: Typically used at concentrations ranging from 0.01% to 0.1% in fragrance formulations.
Volatility and Top/Middle/Base Contribution: Contributes primarily to the middle notes, providing a lasting floral-woody character.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

United States (FDA / FEMA GRAS): Not explicitly listed as GRAS by FEMA.
European Union (Reg. (EC) No 1334/2008; FL number status): Not listed under the EU flavoring regulation.
United Kingdom: Follows EU regulations post-Brexit; no specific divergence noted.
Asia (Japan, China, ASEAN): Limited information available; typically follows international guidelines.
Latin America (e.g., Brazil, MERCOSUR): No specific regulatory status identified; generally aligns with international standards.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Oral Exposure: No specific ADI or MSDI values reported; formulators should ensure usage aligns with industry safety practices.
Dermal Exposure: Limited data on irritation or sensitization; recommended to follow IFRA guidelines for similar compounds.
Inhalation Exposure: Volatility suggests potential for inhalation exposure; occupational safety measures should be considered.
Risk Profiles: No significant differences noted between food and fragrance applications, though exposure routes may vary.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Why This Material is Valuable: Offers unique floral-woody nuances that enhance complexity in formulations.
Typical Synergies: Pairs well with other floral and woody notes, enhancing overall depth.
Common Formulation Pitfalls: Overuse can lead to an overpowering effect; balance is key.
Situations Where It is Frequently Over- or Under-used: Often under-utilized in formulations seeking subtle complexity.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

Well-established Data: Basic chemical identity and sensory characteristics are well-documented.
Industry-typical but Undocumented Practices: Usage levels and safety practices are often based on industry norms.
Known Data Gaps or Regulatory Ambiguities: Specific regulatory approvals and detailed toxicological data are limited.

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 2026-09-12 08:10:07 GMT (p2)

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