4-Toluenethiol

    • Product Name: 4-Toluenethiol
    • Alias: p-Toluenethiol
    • Einecs: 202-441-6
    • Mininmum Order: 1 g
    • Factroy Site: Yudu County, Ganzhou, Jiangxi, China
    • Price Inquiry: admin@ascent-chem.com
    • Manufacturer: Ascent Petrochem Holdings Co., Limited
    • CONTACT NOW
    Specifications

    HS Code

    922631

    Cas Number 106-45-6
    Molecular Formula C7H8S
    Molar Mass 124.20 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 195-197 °C
    Melting Point -26 °C
    Density 1.057 g/cm³
    Flash Point 80 °C (closed cup)
    Refractive Index 1.573
    Solubility In Water Insoluble
    Odor Strong, unpleasant (characteristic thiol odor)
    Synonyms p-Toluenethiol, 4-Methylbenzenethiol

    As an accredited 4-Toluenethiol factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle with tight-seal cap containing 100 mL of 4-Toluenethiol, labeled with hazard warnings and chemical identification.
    Shipping **Shipping Description for 4-Toluenethiol:** 4-Toluenethiol is shipped as a corrosive and flammable liquid in tightly sealed, chemical-resistant containers. Packaging complies with regulatory standards for hazardous materials, ensuring proper labeling and secondary containment. Transport is handled by certified carriers, typically under UN number 2922, with documentation for safe handling and emergency response.
    Storage 4-Toluenethiol should be stored in a cool, dry, well-ventilated area away from sources of ignition and strong oxidizing agents. Keep the container tightly closed and protected from light to prevent decomposition. Store in a flammable liquids cabinet if possible. Avoid exposure to heat, sparks, and moisture to maintain stability and minimize the risk of hazardous fumes or fire.
    Application of 4-Toluenethiol

    Applications of 4-Toluenethiol in Industrial Manufacturing

    4-Toluenethiol is a specialized aromatic thiol widely used as a high-purity intermediate in several chemical industries. Below, we detail verified downstream application scenarios, clarifying real-world integration, compliance, formulation requirements, and the typical finished products derived from industrial use of this material.

    1. Agrochemical Synthesis: Selective Herbicide Intermediate

    4-Toluenethiol serves as a building block in the multi-step synthesis of thiol-containing heterocyclic herbicide actives. Its aromatic thiol group enables specific formation of sulfur bridges, improving molecular stability and selectivity in field applications. During the synthesis, chemists introduce this raw material for the formation of key linkages post-halogenation, and prior to cyclization steps. Precise dosing ensures product consistency and compliance with agrochemical residue standards.

    Industry compliance standards

    • FAO/WHO specifications for pesticide purity and toxicological assessment
    • REACH Annex XVII relating to chemical use and worker safety (EU)
    • EPA 40 CFR Part 158: Data requirements for pesticide registration (USA)
    • ISO 9001:2015 Quality Management in manufacturing

    Typical usage ratio

    • 0.5–2.5 molar equivalents relative to primary aromatic substrate, adjusted according to desired herbicidal potency and reaction yield

    Downstream process integration

    • Added post-halide activation, preceding nucleophilic substitution or coupling in batch reactor systems
    • Monitored for conversion rate and unreacted residuals using HPLC or GC
    • Strict temperature control (50–90°C) to prevent side reactions

    Final product types

    • Thiol-substituted triazole herbicides (technical concentrate)
    • Pre-emergence selective herbicide formulations (EC/SC/GR types)
    • Herbicide technical intermediates for further downstream blending

    2. Polymer Modifier: Sulfur-Functionalized Resins

    Manufacturers incorporate 4-Toluenethiol as a functional modifier in specialty resin production, to impart sulfur cross-links that improve heat resistance, chemical stability, and specific surface adhesion properties critical in advanced coatings and elastomers. It is dosed before polymerization or during finishing, depending on the reactivity of the primary monomers and end-use requirements. Routine QC tests confirm uniform dispersion and reactivity within the matrix.

    Industry compliance standards

    • ISO 9001:2015 for process verification
    • RoHS Directive 2011/65/EU for electrical/electronic resins
    • ASTM D256 for impact strength of plastics
    • REACH SVHC list verification in Europe

    Typical usage ratio

    • 0.1–1.0% by total resin weight, adjusted for desired cross-linking density and sulfhydryl incorporation

    Downstream process integration

    • Introduced into the pre-polymer or blending stage along with initiators and secondary modifiers
    • Homogenized under controlled shear to ensure molecular-level integration
    • Monitored via IR and titration for residual thiol content

    Final product types

    • High-temperature polymer coatings
    • Specialty adhesives for electronics and automotive use
    • Chemical-resistant elastomers and rubber components

    3. Pharmaceutical Intermediate Production

    Pharmaceutical manufacturers use 4-Toluenethiol to construct custom thiol functionalities in the synthesis of active pharmaceutical ingredients, particularly in certain antithyroid agents and selective enzyme inhibitors. Its defined aromatic structure ensures predictable reactivity in nucleophilic substitution or coupling reactions. All handling and record-keeping align with stringent GMP controls to eliminate cross-contamination and maintain traceability throughout multi-stage synthesis.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredients
    • Ph. Eur. 10.0, USP-NF standards for raw material purity and residual solvents
    • FDA 21 CFR Part 211 for finished drug manufacturing
    • ISO 14644-1 Cleanroom requirements in synthesis steps

    Typical usage ratio

    • 1:1–1.5:1 molar ratio related to the halogenated pharmaceutical precursor, fine-tuned based on step yield requirements

    Downstream process integration

    • Charged into sealed reactors after in-situ generation of reactive intermediates
    • Integrated into batch or semi-continuous synthetic routes at controlled pH and temperature
    • Residual quantification via LC-MS before purification

    Final product types

    • Sulfur-containing APIs for metabolic disorders and oncology
    • Key intermediates for antithyroid and enzyme-targeted pharmaceuticals
    • Building-block chemicals for custom drug research

    4. Odorant and Mercaptan Additives in Gas Detection

    4-Toluenethiol, characterized by its potent mercaptan odor, becomes a critical raw material in producing specialized natural gas odorants that facilitate early leak detection. Industrial blending operations dose the compound to precise trace concentrations, ensuring immediate human detection without compromising pipeline component integrity or downstream gas quality. Closed-system loading and specialized monitoring avoid occupational exposure during blending.

    Industry compliance standards

    • 49 CFR § 192.625 (US pipeline odorization requirement)
    • ASTM D5504 for sulfur compound analysis in gas
    • ISO 13734:1999 for natural gas odorization quality
    • OSHA Occupational Exposure Limits for thiols

    Typical usage ratio

    • 0.5–3.0 ppm in odorant blend, depending on region-specific regulatory requirements and baseline gas composition

    Downstream process integration

    • Blended into gas odorant formulations in automated dosing systems
    • Performance assessed by gas chromatography and field olfactory panels
    • Loaded into pressurized odorant storage for regulated injection at distribution points

    Final product types

    • Custom odorant blends for natural gas and LPG networks
    • Calibration standards for industrial gas detectors
    • Odorized gas supplied to utilities and industrial fuel users

    5. Synthesis of Polysulfide Sealants

    4-Toluenethiol acts as a chain-terminating agent during the controlled synthesis of polysulfide prepolymers. The presence of its aromatic thiol group allows precise manipulation of polymer end groups and chain length. Integration of this raw material, ahead of oxidative curing, ensures targeted viscosity, improved flexibility, and resistance to weathering, essential for meeting structural engineering criteria in sealing and glazing.

    Industry compliance standards

    • ASTM C920 for elastomeric joint sealants
    • EN 15651-1:2012 for construction sealants (EU)
    • ISO 11600 for construction sealant classification
    • UL GREENGUARD Certification for indoor air quality (sealant emissions)

    Typical usage ratio

    • 0.2–0.8% by weight of reactant monomers, based on targeted end group concentration for required mechanical properties

    Downstream process integration

    • Introduced in the final step of prepolymer synthesis after dithiol addition
    • Mainly used in closed mixing and degassing vessels under nitrogen blanketing
    • Monitored for chain termination using GPC and FTIR analysis

    Final product types

    • Industrial polysulfide sealant kits (base/curing agent)
    • Glazing compounds for double-pane window assembly
    • Flexible expansion joint fillers in infrastructure projects

    6. Process Chemistry: Custom Sulfur-Based Ligand Synthesis

    Chemical companies use 4-Toluenethiol as a key substrate for manufacturing sulfur-containing ligands, widely employed in metal ion extraction, catalysis, and analytical chemistry. Its structural features provide a foundation for forming specific donor sites through sulfidation and alkylation steps. Operators incorporate it into multi-step synthesis routes involving organic solvents and controlled atmospheres to ensure selectivity and prevent over-oxidation.

    Industry compliance standards

    • ISO 9001:2015 documentation and batch traceability
    • REACH registration and notification when above threshold quantities
    • Hazardous Waste (Regulation) compliance for solvent disposal
    • Occupational Health and Safety Rules for handling thiols

    Typical usage ratio

    • 1–2 molar equivalents per ligand-forming unit, adjusted for reaction step efficiency

    Downstream process integration

    • Reacted with alkylating or acylating agents in solvent phase organic synthesis
    • Processed under inert atmosphere to protect against air oxidation
    • Monitored for side-product formation by NMR and LC-MS

    Final product types

    • Custom sulfur-based chelating agents
    • Functional ligands for transition metal complexation
    • Extraction agents for hydrometallurgical refining

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    Certification & Compliance
    More Introduction

    4-Toluenethiol: A Practical Approach from the Manufacturer’s Workshop

    Understanding 4-Toluenethiol and Its Role in Industry

    Year after year, industries ask for more than reliability from raw materials—they expect predictability. Working directly with chemists and plant managers has taught us that 4-Toluenethiol, or para-toluenethiol (CAS: 106-45-6), continues to stand out not just for its performance, but for the day-to-day trust people place in its behavior. Several of our long-term customers depend on the sharp sulfur note it offers when used as a building block, especially in pharmaceuticals, flavors, fragrances, and advanced organic synthesis. Unlike generic thiols, the para orientation of the thiol group on the aromatic ring grants 4-Toluenethiol a unique balance between reactivity and selectivity for downstream reactions.

    We compound and distill 4-Toluenethiol at our facility, never relying on reselling or redrum processes that dilute the value chain. This ensures that from the point of order to delivery, each kilogram reflects batch reliability and data we’ve logged in real time. Laboratories often highlight the importance of spectral consistency; our finished product matches benchmark NMR and IR profiles report after report. Chemists here take pride in tracking these metrics, not because regulations demand it, but because every missed detail means another hiccup on a customer’s line.

    Physical Specifications and Batch Consistency

    Standard purity levels we offer reach 99%, typically delivered as a clear to pale yellow liquid. Each batch follows strict checks for water, heavy metals, and byproduct sulfides, since these often interfere in high-sensitivity syntheses or leave trace residues in finished consumer products. The boiling point hovers around 194°C (measured at atmospheric pressure), which lines up with literature—critical knowledge for teams optimizing distillation or recovering solvents on larger scales. Odor, an unmistakable sharpness typical of aryl thiols, doubles as a handling flag in the plant: experienced operators know they’re working with a potent compound and respect the necessary containment.

    Our reactors limit atmospheric contact during synthesis, not simply to satisfy an SOP, but to prevent batch-to-batch changes that could disrupt customer runs. We field calls from buyers who’ve learned the hard way that external sources don’t always keep oxidation to the minimum. Over the years, even minor formation of sulfonic acids or disulfide byproducts reveals itself on HPLC or during an application trial—sometimes only after hundreds of kilograms have moved downstream. In our facility, we run redundant GC and titration checks rather than trusting a single test.

    Practical Applications: Why Formulators Choose the Para Isomer

    Pharmaceutical developers have long favored 4-Toluenethiol in the preparation of intermediates—such as for certain anti-infectives, anti-inflammatories, and a broader array of specialty molecules. Medicinal chemists report that the para orientation of the thiol group limits side reactions and simplifies purification. We’ve followed papers and patent filings where ortho or meta isomers show more problematic reactivity, either dragging along unwanted polysubstituted byproducts or complicating crystallization. Filling drums for these exacting customers every week gives us a constant reality check: para-toluenethiol lets them prototype with fewer headaches.

    In flavors and fragrances, teams reach for 4-Toluenethiol because of its ability to impart strong, distinctive base notes while blending with other aromatic structures. Its impact resonates well at very low concentrations, granting perfumers a reliable backbone for sulfurous or roasted notes in finished blends. At the industrial scale, eliminating isomeric impurities avoids unexpected tonal shifts in the final composition—one of many reasons our QC teams communicate closely with customer R&D.

    Technical Differentiation: 4-Toluenethiol versus Other Thiols

    Comparisons often arise with o-toluenethiol or m-toluenethiol, as well as with benzyl mercaptan or thiophenol. In our production suites, 4-Toluenethiol stands apart due to its combination of reactivity and manageable volatility. Ortho and meta derivatives require extra distillation stages for separation, and they rarely offer the same level of performance in subsequent alkylation or acylation reactions. For end users, side isomers have been known to increase downstream waste streams or force changes in purification strategy, costing both time and solvent.

    Thiophenol, more volatile and aggressive, brings a sharper hazard profile to laboratories and process plants. Its odor profile also deters some fragrance and flavor formulators. Benzyl mercaptan, structurally different, introduces complications when targeting specific aromatic substitutions or attempting selective derivatization. In manufacturing, technical staff learn how subtle differences in raw material structure echo through every next stage of a synthetic process—a lesson data sheets alone don’t teach. Plant engineers know the batch reviews and process feedback loops associated with 4-Toluenethiol usually present fewer surprises.

    Quality Assurance from a Manufacturer’s Perspective

    Every person running production lines knows quality control isn’t something you do once and declare settled. Our team integrates continuous checks at weigh-in, during synthesis, and through post-distillation storage. We document each batch’s spectral identifiers, so customers can match received material with past lots. Clients have noticed: lots demonstrate repeatable quality for both pilot builds and scale-ups.

    Shelf stability remains top of mind for our storage team, especially with temperature-sensitive products like thiols. We deploy inert gas blanketing and sealed vessel transfers, minimizing air moisture and oxygen exposure. Drums ship with full batch records and date-of-packaging details—a small thing, yet crucial for buyers who need to confirm traceability months or even years after production. Callbacks from pharmaceutical companies preparing a regulatory submission or holding extra stock underscore how much difference this diligence makes in the real world.

    Our technical support often answers detailed questions about compatibility and side reactions. Analytical teams at client sites send us spectral data or questions about byproduct identification. Instead of reading from a spec, our chemists review synthetic records and small-scale trial feedback—they share experience born directly from hands-on production, not from sales literature. If the customer has a quality target or custom spec, our staff discusses the chemistry, not just the numbers, and we tweak procedures as needed. The result is a relationship rooted in open process dialogue, which pays clear dividends in less downtime and fewer returns.

    Handling, Safety, and Environmental Insight

    Working daily with 4-Toluenethiol, our people see safe handling as a matter of lived habit, not checkbox compliance. The product—while not explosive—demands respect for volatility and odor thresholds. Plant staff rely on local exhaust and PPE, standard measures reinforced by practical experience with minor leaks or transfer drips. We designed our tank lines and automated filling rigs to make containment straightforward, reducing both spill risk and fugitive emissions.

    The olfactory marker associated with thiols is strong enough that any line breach presents itself quickly. Operators and storehouse workers don’t waste time searching for the issue—a lesson rooted in daily reality, not just manuals. We work at minimizing inventory storage times to limit degradation, always prioritizing fresh production over warehoused supply. At end-of-life or in case of spills, established neutralization routes (usually using bleach or hydrogen peroxide) let us address accidental releases with immediate effect, avoiding drawn-out cleanups.

    Our environmental compliance programs engage directly with surrounding community interests. Waste effluent from cleaning or process streams routes through multi-stage detox and scrubbing. These systems have cost us extra up front, but long-term relationships with local regulators and neighbors matter to us. No production target is worth offsetting the safety or trust built with the people living near our plant.

    Real-World Challenges and Solutions with 4-Toluenethiol

    Long stretches of running 4-Toluenethiol synthesis have taught us more than the textbooks predicted. Each batch run, we see common sticking points—from catalyst hang-up, trace sulfur recovery, to side-stream impurities that don’t appear until a certain scale is reached. The batch yield swings most at the interface of reaction completion and workup, not at the headline reaction itself. Our staff have solved these problems by tweaking not only the temperature or pressure, but the timing of reagent additions and overhead stirring rates.

    Clients working on novel compound libraries or specialty fragrances sometimes bring up custom modifications—whether a tweak of purity, alternative solvent, or a different stabilizer. Our team reviews feasibility from the ground up, often running lab trials before committing to change production. Sometimes, the request makes little sense in terms of workflow. Other times, we find new efficiencies or discover a shortcut no one predicted until hands hit the actual process controls. Fielding questions directly from users gives us a sense of where the real value lies, not just what looks promising on a spreadsheet.

    Supply disruption remains a stubborn issue in global chemical trade—the past several years have seen raw material shortages, freight spikes, and local regulatory changes. Having in-house synthesis of 4-Toluenethiol insulates us from many of these swings. Teams don’t wait weeks for overseas shipments; they pull from stock on hand or schedule a production slot, balancing flexibility and cost. In truth, that security has let us respond to rush orders or accommodate product recalls from customers working with less stable supply sources.

    Downstream Impacts and Industry Trends

    Pharmaceutical and specialty chemical clients care about registration and compliance details for every intermediate. Our operational experience tells us that accurate provenance, as well as real-time traceability, can be make-or-break for drug launches or regulatory filings. Instead of generic batch codes, our documentation traces each step so that audits—either internal or regulatory—can walk through a batch’s entire journey from raw to finished good.

    Research teams in academia and startups lean heavily on certainty regarding core chemicals like 4-Toluenethiol. Variants from questionable sources often widen reaction outcome variances, wasting both precious time and grant funds. Part of our commitment centers on making available archival data, historic lot specs, and offering direct advice on formulation or process dilemma.

    Green chemistry priorities now run through every customer conversation. Some seek renewable routes to thiol precursors or cleaner oxidation and recycle methods. We invest in pilot programs to recover sulfur co-products, not only to satisfy regulatory noise but to cut material costs and demonstrate responsibility to clients. Even simple tweaks—like switching from copper to more benign catalysts—grew out of feedback from end-users who wanted to align process risk with environmental ambitions.

    Beyond Commodity: Delivering Value from the Factory Floor

    Navigating chemical supply means living with margin-for-error realities. Every day, plant personnel and technical sales hear from users struggling with delays, tolerance drift, or regulatory questions. The value in our role as a manufacturer lies in more than filling a drum; it’s building reliability into a complicated process. Each time a customer requests analysis beyond the usual purity certificate, it’s a prompt to dig into our records, investigate any possible drift, and close feedback loops as quickly as possible.

    The people running reactors and cleaning valves here don’t just meet targets—they hold knowledge on how to squeeze out a cleaner, higher-yielding batch. This insight isn’t just for lab reports; it rolls directly into safer handling, lighter environmental impact, and less uncertainty for those trusting us with their formulations. We don’t ship 4-Toluenethiol because someone expects the paperwork to be complete. We ship knowing that every liter impacts a process, a product, and ultimately a patient or consumer down the line.

    Trust in chemicals rarely gets built from a single transaction or abstract promise. It grows batch by batch, through technical challenge, direct dialogue, and the ability to solve problems when they count. If there’s a single truth from our time with 4-Toluenethiol, it’s that reliable supply built on know-how beats mere compliance or low price. In the long run, that’s what keeps researchers, formulators, and manufacturing partners coming back year after year.

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