This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
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1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
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Application Protocols
Not applicable to this product type.
No validated immunoassay or imaging protocols (WB, IHC, IF, FC) are associated with a small-molecule salt like methylammonium acetate. For practical use, refer instead to the Reaction & Applications and Reaction Conditions sections for synthetic/analytical guidelines.
Biological Roles
Applicability
Methylammonium acetate is a laboratory reagent; any biological roles described here are general context about its constituent ions and do not imply suitability for clinical/therapeutic use.
Literature context
Methylammonium cation (CH3NH3+): Commonly used as a surrogate for ammonium (NH4+) in membrane transport studies because of similar size/charge, though transport kinetics can differ across channels and carriers.
Acetate (CH3COO−): A central metabolite entering cellular metabolism via acetyl-CoA; influences pH homeostasis and can serve as a carbon source in many microbes.
Reagent-focused notes
In biochemical assays, small organic ammonium acetates may be employed to adjust ionic strength, promote protein precipitation at specific solvent/water ratios, or act as volatile ion-pairing agents for MS sample preparation. MAAc could serve similar roles where its specific cation properties are advantageous; verify compatibility with your biomolecules.
Volatility/cleanup: Compared to ammonium acetate, MAAc is less volatile, potentially leaving more nonvolatile residue after drying; this tradeoff should be considered for MS-centric workflows.
Restrictions
For research use only (per Product Data). Not intended for food, drug, or diagnostic applications.
Buffer Applications
General assessment
Methylammonium acetate is not a standard, well-characterized buffering system. Classic acetate buffers use acetic acid/acetate conjugate pairs (pH ~3.8–5.8), and amine buffers use amine/amine-H+ pairs in alkaline ranges. A simple salt like MAAc does not, by itself, define a single Henderson–Hasselbalch pair.
When it can be useful
As an ionic additive to adjust ionic strength or to provide acetate in situ. If buffering near pH 4–6 is needed, pair acetate with acetic acid; if alkaline buffering is required (pH ~9–11), use methylamine/methylammonium systems explicitly prepared from methylamine and its conjugate acid.
Practical guidance
To prepare an acetate buffer, use glacial acetic acid and sodium or ammonium acetate; titrate to the target pH with NaOH or HCl. Document final ionic strength.
If employing MAAc in method development, measure actual solution pH after dissolution, as the resulting pH will depend on concentration, temperature, and any excess acid/base present.
Bottom line
Not typically recommended as a primary buffering reagent. Prefer established buffering systems with well-tabulated pKa and capacity curves.
Green Alternatives
Context
Methylammonium acetate (MAAc) is a small organic salt made from two relatively benign components (methylamine and acetic acid). Selection of counterions impacts volatility, toxicity, and environmental footprint in downstream processes.
Comparative considerations (literature-based)
Ammonium acetate: Similar functionality with fully inorganic ammonium cation; high volatility and extensive precedence in LC/MS mobile phases. Often preferred when minimal organic residues are required.
Choline acetate: Biogenic, low-toxicity cation; higher thermal stability and lower volatility. Preferred in biocatalysis and biomass processing.
Triethylammonium acetate: More hydrophobic, volatile cation; frequently used as an ion-pairing reagent in RP-LC, but with stronger odor and potential environmental concerns.
Trade-offs
Volatility: MAAc is less volatile than ammonium acetate but more manageable than many bulkier trialkylammonium acetates.
Toxicity/odor: Methylammonium-based salts can release methylamine upon strong basification/heating (pungent). Choline acetate avoids amine odor but is less volatile.
Process greenness: Selection should balance solvent choice (water/alcohols preferable), energy input (ambient to moderate temperatures), and ease of removal (volatility or aqueous washes).
Goal: Small organic counterion for metathesis — MAAc is a compact option with good aqueous/alcohol solubility.
Note: Always evaluate biodegradability, aquatic toxicity, and worker exposure for the entire formulation, not just the salt.
Pharmaceutical Uses
Scope
No therapeutic or clinical claims are made. The information below concerns potential roles as a processing/formulation aid in research settings.
General formulation context (literature)
Volatile counterion/additive: Small ammonium acetates are used in analytical development (e.g., LC/MS-compatible mobile phases) because they leave minimal nonvolatile residue upon evaporation. Methylammonium acetate is less common than ammonium acetate for this purpose due to lower volatility but may be considered in niche separations where cation identity influences retention or ionization.
Ion-pairing and salt formation: In preformulation research, exchanging counterions can help screen solubility and crystallization behavior of APIs bearing acidic or basic groups. MAAc can serve as an acetate donor or to transiently bind to acidic sites of model compounds.
Regulatory/compendial status
No pharmacopeial monograph for methylammonium acetate is referenced here. If use in regulated workflows is contemplated, qualification must rely on internal specifications and impurity profiles.
Practical notes
Residuals: Assess nonvolatile residue and amine odor thresholds during drying steps.
Compatibility: Evaluate interaction with excipients sensitive to amines or acetate.
Physical Properties
Item-specific specifications
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Physical state: Typically a low-melting, highly hygroscopic ionic solid; deliquescent in humid air (literature/experience for small ammonium carboxylates).
Melting point: Not reliably established here; values vary with water content for hygroscopic salts. Consult primary references if a precise MP is critical.
Boiling point: Not applicable; decomposes before boiling (typical for ammonium carboxylate salts).
Density: Not specified in reliable sources for the anhydrous solid.
Solubility: Very soluble in water; miscible with polar protic solvents (MeOH, EtOH). Limited solubility expected in aprotic, nonpolar solvents (literature expectation for similar salts).
pKa-related notes: Component acid/base pair consists of acetic acid (pKa ~4.76, literature) and methylammonium (conjugate acid of methylamine; pKaH ~10.6, literature). The salt solution exhibits ionic strength effects rather than a single well-defined buffer pKa.
Partitioning: logP not meaningful for discrete ionic salts; distribution depends on ion pairing and solvent.
Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
Practical implications
Hygroscopicity and possible water of absorption significantly influence measured MP and handling; dry under vacuum at mild temperature if a low-water material is required (verify suitability with CoA).
Quality and Grades
Item-specific
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet.
Interpreting grade terminology (general guidance)
Research grade: Common for laboratory reagents; suitable for most synthesis and analytical sample prep where trace impurities are not critical.
High-purity/anhydrous grades (if specified): For moisture-sensitive applications, confirm Karl Fischer water and residual solvent content on the CoA. Hygroscopic salts can pick up water rapidly; supplier drying/packaging practices are key.
LC/MS or mobile-phase grades (if ever offered): Emphasize low nonvolatile residue and low UV background; any such claims must be supported by UV cutoff and residue-on-evaporation specs—absent here.
What to check on receipt
Verify lot-specific CoA for assay method (e.g., acid–base titration, NMR assay), water content, and residual volatiles. For salts of volatile components, headspace GC may be indicative of stability.
Inspect packaging for inert-atmosphere integrity (argon backfill) consistent with the Product Data; document if the seal is compromised.
Reaction and Applications
General roles in synthesis (literature)
Brønsted acid/base reservoir: As a protic salt, MAAc can modulate micro-acidity in polar media, providing acetate as a weak base/nucleophile and methylammonium as a proton source.
Ion-pairing/phase behavior: Useful as a small-ion additive to tune solvation, conductivity, and ion-pairing in polar organic reactions, electrochemistry, and separations.
Precursor/transfer reagent: Convenient starting point to access other methylammonium salts via metathesis (e.g., treatment with HX or halide acids to form methylammonium halides, releasing acetic acid), or with inorganic salts to exchange the counterion.
Catalysis medium: Components related to methylammonium acetate are used in protic ionic liquids or deep eutectic solvents for esterification/transesterification under mild conditions; MAAc can serve as a benign acetate source or co-catalyst in such systems.
Applications examples (literature illustrations; verify for your system)
Nucleophilic substitutions under SN1-like conditions where acetate acts as a weak nucleophile to trap carbocations, forming acetates that can later be hydrolyzed.
Acetate-buffered workups: Introduce acetate in situ to quench basic intermediates without introducing alkali metals.
Perovskite precursor processing: Organic ammonium salts are employed to control stoichiometry during halide exchange; MAAc can be used to transiently deliver methylammonium, followed by anion exchange (system-dependent; validate carefully).
Practical notes
Drying: Hygroscopic—dry briefly under high vacuum at ambient to 40 °C before moisture-sensitive uses; avoid overdrying at elevated temperature to prevent decomposition.
Degassing: For air/water-sensitive reactions, prepare solutions under inert atmosphere; argon headspace recommended (per Product Data).
Reaction Conditions
General operating ranges (literature guidance; adjust to your system)
Solvents: Water, MeOH, EtOH, i-PrOH, MeCN, DMF, DMSO commonly dissolve MAAc to varying extents. Choose based on substrate solubility and downstream removal.
Temperatures: Ambient to 80 °C typical for ionic-additive roles; avoid extended heating above ~100 °C to minimize decomposition (liberation of acetic acid/methylamine). For any elevated-temperature use, implement vented setups.
Loadings: 1–50 mol% as an additive/catalyst or 0.01–1.0 M as a medium component in ionic mixtures; optimize experimentally.
Atmosphere: Inert atmosphere (argon or nitrogen) is prudent for moisture-sensitive transformations and aligns with Product Data storage guidance.
Use-case sketches
Ion exchange to methylammonium halide: Dissolve MAAc in minimal alcohol/water, add equimolar strong hydrogen halide (HX) at 0–25 °C; remove volatile acetic acid under reduced pressure; recrystallize the resulting methylammonium halide from suitable solvent. Monitor by NMR/ion chromatography.
SN1 acetoxylation trap: Generate carbocation precursor (e.g., tert-alkyl halide) in polar solvent with MAAc present (0.1–0.5 M acetate); maintain 0–25 °C; work up by aqueous wash; hydrolyze acetate if the alcohol is desired.
Electroorganic additive: Include 50–200 mM MAAc in MeCN/MeOH to boost conductivity; adjust electrode material and potential per substrate.
Notes
The above are literature-style generalizations, not product specifications. Validate all parameters on small scale and consult primary references for specific substrates.
Safety and Handling
Item-specific safety information
GHS classification: Not specified for this item; refer to SDS.
Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
Storage conditions: Store at 2–8 °C, argon charged (per Product Data). Ship on wet ice.
General safety guidance (literature/practice; consult SDS for authoritative instructions)
Hazard overview: Small organic ammonium carboxylate salts are generally of low acute toxicity but can cause eye, skin, and respiratory irritation. Avoid inhalation of dust/aerosols and contact with eyes/skin.
Hygroscopic/deliquescent: Minimizes stability if exposed to ambient humidity; keep container tightly closed under inert gas. Open only briefly and reseal promptly.
Incompatibilities: Strong oxidizers; strong acids/bases (may liberate acetic acid or methylamine under extreme pH). Avoid contact with acylating agents and dehydrating reagents if composition must remain unchanged.
Thermal decomposition: Heating can lead to acid–base dissociation and decomposition, potentially releasing acetic acid and methylamine; ensure adequate ventilation when heating.
PPE: Lab coat, safety glasses, and chemically resistant gloves (e.g., nitrile). Use in a fume hood when weighing or preparing solutions.
First aid (summary; follow SDS): If inhaled—fresh air, medical attention if symptoms persist. Skin/eye contact—rinse with water for several minutes; remove contaminated clothing; seek medical advice for persistent irritation. If swallowed—rinse mouth; do not induce vomiting; seek medical attention.
Spill response: Sweep/collect solid while minimizing dust; for solutions, absorb with inert material. Transfer to a suitable container for disposal per local regulations.
Solvent Selection
Applicability
As an ionic organic salt, methylammonium acetate dissolves readily in polar protic media and water; it is not a conventional organic solvent itself but can function as a component in ionic liquid or deep eutectic solvent formulations.
Polarity and miscibility (literature/general)
Water: Freely soluble; solutions exhibit moderate ionic strength and conductivity.
Alcohols (MeOH, EtOH): High solubility; useful for preparing stock solutions that remain compatible with many organic transformations and analytical workflows.
Aprotic solvents (MeCN, DMSO, DMF): Often soluble due to high dielectric constants; verify experimentally, as hydration state can influence solubility.
Nonpolar solvents (toluene, hexanes, CPME): Poorly soluble; ion-pairing additives or phase-transfer strategies are required if use is necessary.
When to choose MAAc vs alternatives
Choose MAAc when a small, volatile organic counterion is desired for temporary ion association, or when acetate as a weak nucleophile/base is beneficial under mild conditions.
Consider ammonium acetate or triethylammonium acetate where higher volatility or specific buffering performance is required for LC/MS. Consider choline acetate when lower volatility and a more benign cation are preferred in bioprocess settings.
Practical tips
Control water content: Prepare solutions using anhydrous solvents where moisture sensitivity matters; store under argon per Product Data.
Filter solutions (0.2 µm) to remove particulates prior to analytical use.
Storage and Reconstitution
Item-specific instructions
Storage: Store at 2–8 °C, argon charged (per Product Data). Shipped on wet ice.
General handling and solution preparation (literature/practice)
Hygroscopicity: Open containers only in low-humidity environments. Immediately reseal and re-establish inert headspace after use.
Drying before use: If low water content is required, dry under high vacuum at ambient to ~40 °C for a short period. Avoid prolonged heating to prevent decomposition.
Solution preparation: Dissolves readily in water and polar alcohols. Prepare stock solutions at desired molarity (e.g., 0.1–1.0 M) using anhydrous solvents when moisture is detrimental. Mix until fully dissolved; gentle warming (<40 °C) can expedite dissolution.
Filtration: Clarify solutions through 0.20–0.45 µm PTFE or PES filters for analytical applications.
Storage of solutions: For aqueous solutions, refrigeration (2–8 °C) is generally advisable. For anhydrous organic solutions, store under inert gas in tightly sealed, compatible containers. Label with preparation date and concentration; assess stability empirically.
Freeze–thaw: Avoid repeated freeze–thaw of concentrated aqueous stocks to minimize concentration drift due to selective ice formation; aliquot if long-term storage is required.
Disposal
Dispose of unused material and solutions according to institutional and local regulations for organic salts and amine-containing wastes.
Research use note
For research use only (per Product Data).
Structure and Identity
Item-specific (from Product Data)
CAS: 6998-30-7
Product name: Methylammonium Acetate (MAAc)
InChIKey: 297838 (as provided)
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Literature/computed identifiers and description (for reference only)
Common description: Protic salt of methylammonium cation and acetate anion.
Empirical formula (literature): C3H9NO2 (overall for CH3NH3+·CH3COO−)
Ions present: One primary ammonium cation (methylammonium, CH3–NH3+) and one carboxylate anion (acetate, CH3–COO−).
Functional group motifs: Quaternized (protonated) amine; resonance-stabilized carboxylate.
2D description in words: Two small aliphatic fragments; a methyl-bound ammonium cation is electrostatically paired with a planar acetate anion bearing delocalized negative charge over two oxygens. No stereocenters; no ring systems.
Notes
All literature values above are provided for scientific context only; the authoritative identity for this item is given in the Product Data and the accompanying CoA/SDS.
Synthetic Utility
Functional roles
Counterion exchange platform: MAAc offers a convenient starting point to generate other methylammonium salts via metathesis (e.g., with halide acids or ion-exchange resins), useful when methylammonium incorporation is desired but the target counterion differs.
Mild acetate source: Supplies acetate as a weak base/nucleophile in polar media for trapping carbocations or promoting displacement reactions where strong bases would lead to elimination or overreaction.
Medium modifier: As a small ionic additive, MAAc can increase conductivity in electroorganic reactions and modulate solvation in polar aprotic solvents.
Retrosynthetic considerations
Where an intermediate requires temporary protection or activation via ion pairing, a methylammonium counterion can be advantageous due to compact size and relatively facile removal during aqueous workup (proton transfer liberates methylamine/acetic acid under appropriate conditions).
Acetoxylation/trapping in solvolysis: Acetate from salts like MAAc can serve in SN1 solvolysis trapping to form acetates later hydrolyzed to alcohols.
Transesterification/esterification in ionic media: Protic ionic liquids based on acetate can catalyze ester formation; MAAc may be part of such media or an additive to tune acidity/basicity.
Handling guidance
Verify water content to ensure reproducibility; ionic activity and outcomes in rate-sensitive reactions can depend strongly on hydration state.
Target Specificity
Not applicable to this product type.
This item is a small-molecule salt, not a biological targeting reagent (e.g., antibody, ligand, or probe). No antigen/epitope specificity, clone, or isotype applies.
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