acetonitrile

Material Search

acetonitrile

Identifiers

CAS (Single)	75-05-8
FEMA	N/A
EINECS	200-835-2
Synonyms	cyanomethane ethane nitrile ethanenitrile ethanonitrile ethyl nitrile methane, cyano- methanecarbonitrile methyl cyanide methylidyne, cyano-
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	Z072SB282N
CoE Number	N/A
XlogP3-AA	N/A
Molecular Weight	41.05291
Molecular Formula	C2 H3 N

Properties

Food Chemicals Codex Listed	No
Appearance	colorless to pale yellow clear liquid (est)
Assay	95.00 to 100.00
Specific Gravity	N/A
Lbs/Gal (est)	N/A
Refractive Index	N/A
Melting Point	-45.00 Â°C. @ 760.00 mm Hg (est)
Boiling Point	81.60 Â°C. @ 760.00 mm Hg
Flash Point	42.00 Â°F. TCC ( 5.60 Â°C. ) (est)
Acid Value	N/A
Vapor Pressure	88.800000 mmHg @ 25.00 Â°C. (est)
Vapor Density	1.42 ( Air = 1 )
logP (o/w)	-0.34
Soluble In	water, 1.00E+06 mg/L @ 25 °C (exp) water, 1.367e+005 mg/L @ 25 °C (est)
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 Acetonitrile (CAS: 75-05-8)

1. Identity & Chemical Information

Common Name(s): Acetonitrile
IUPAC Name: Acetonitrile
CAS Number: 75-05-8
FEMA Number: Not applicable
Other Identifiers: FL number not applicable, CoE number not applicable, IFRA reference not applicable
Molecular Formula: C₂H₃N
Molecular Weight: 41.05 g/mol
Functional Groups and Structure–Odor Relevance: Acetonitrile is a simple nitrile with a linear structure. It is characterized by a cyano group (C≡N) attached to a methyl group. The presence of the cyano group contributes to its solvent properties rather than any significant odor profile.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

Odor and Flavor Descriptors: Acetonitrile is generally considered to have a faint, ether-like odor. It is not typically used for its sensory properties in flavors or fragrances due to its solvent-like characteristics.
Taste and/or Odor Thresholds: Data not found. Acetonitrile is not commonly evaluated for sensory thresholds due to its primary use as a solvent.
Typical Sensory Role: Acetonitrile does not play a significant role in sensory applications. Its primary use is as a solvent in analytical chemistry and industrial applications.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

Known Natural Sources: Acetonitrile is not typically found in nature. It is primarily a synthetic compound.
Formation Pathways: Acetonitrile is produced industrially as a byproduct of acrylonitrile manufacture. It can also be formed during the combustion of organic materials.
Relevance to “Natural Flavor” or “Natural Fragrance” Designation: Acetonitrile does not qualify for natural flavor or fragrance designation due to its synthetic origin and lack of natural occurrence.

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

4. Use in Flavors

Flavor Categories and Applications: Acetonitrile is not used in flavor formulations due to its solvent properties and potential toxicity.
Functional Role in Flavor Systems: Not applicable.
Typical Use Levels: Not applicable. Acetonitrile is not used in food or beverage products.
Stability Considerations: Acetonitrile is stable under normal conditions but is not used in flavor systems due to its solvent nature and lack of sensory contribution.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

Fragrance Families and Product Types: Acetonitrile is not used in fragrance formulations.
Functional Role: Not applicable.
Typical Qualitative or Quantitative Concentration Ranges: Not applicable.
Volatility and Top/Middle/Base Contribution: Acetonitrile is volatile but does not contribute to fragrance profiles.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

United States (FDA / FEMA GRAS): Acetonitrile is not approved for use in food or fragrances.
European Union (Reg. (EC) No 1334/2008; FL number status): Not approved for flavor or fragrance use.
United Kingdom (Post-Brexit Alignment or Divergence): Follows EU regulations; not approved.
Asia (Japan, China, ASEAN): Generally not approved for flavor or fragrance use.
Latin America (e.g., Brazil, MERCOSUR): Not approved for use in flavors or fragrances.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Oral Exposure: Acetonitrile is toxic if ingested. It is not used in food applications.
Dermal Exposure: Can cause irritation upon contact with skin. Not used in fragrance applications.
Inhalation Exposure: Volatile and can be harmful if inhaled. Occupational exposure limits are established to minimize risk.
Risk Profiles: Acetonitrile poses significant health risks and is not used in food or fragrance applications.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

Why This Material is Valuable: Acetonitrile is valued as a solvent in analytical chemistry, particularly in high-performance liquid chromatography (HPLC).
Typical Synergies: Not applicable in flavor or fragrance formulation.
Common Formulation Pitfalls: Not applicable.
Situations Where It is Frequently Over- or Under-Used: Not applicable in flavor or fragrance contexts.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

Well-Established Data: Acetonitrile's properties as a solvent are well-documented.
Industry-Typical but Undocumented Practices: Not applicable for flavor or fragrance use.
Known Data Gaps or Regulatory Ambiguities: None relevant to flavor or fragrance applications.

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)
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 2026-09-30 03:19:33 GMT (p2)

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