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Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate

    • Product Name Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate
    • Alias Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate
    • Einecs 411-110-7
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    999383

    Chemicalname Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate
    Molecularformula C16H21ClO3
    Molecularweight 296.79 g/mol
    Appearance Colorless to pale yellow liquid
    Purity Typically ≥98%
    Solubility Soluble in organic solvents (e.g., DMSO, ethanol)
    Smiles CCOC(=O)C(C)(C)C1=CC=CC=C1CCCC(=O)Cl
    Storageconditions Store in a cool, dry place; keep container tightly closed

    As an accredited Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 500g supplied in a sealed, amber glass bottle with tamper-evident cap; chemical and hazard labels clearly displayed on exterior.
    Shipping This chemical, **Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate**, is shipped in tightly sealed containers, protected from moisture and light. Transport is in compliance with local and international regulations for hazardous materials. Ensure upright packaging, clear labeling, and proper documentation, with temperature control as required to maintain product stability and safety.
    Storage **Storage for Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate:** Store in a tightly closed container in a cool, dry, and well-ventilated area. Keep away from heat, sparks, open flames, and incompatible substances such as strong oxidizers. Protect from moisture and direct sunlight. Ensure containers are clearly labeled, and access is restricted to trained personnel. Use proper chemical storage cabinets as appropriate.
    Application of Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate

    Applications of Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate in Industrial Manufacturing

    As a direct chemical raw material manufacturer, we supply Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate for integration into several specialized industrial processes. Below, we outline major downstream application sectors, providing in-depth technical details for each area in accordance with actual user requirements, regulatory obligations, and established best practices.

    1. Active Pharmaceutical Ingredient (API) Intermediate Synthesis

    In pharmaceutical synthesis, this compound functions as a key intermediate for certain small-molecule APIs, particularly for the preparation of chloroalkyl-substituted compounds and bespoke benzeneacetate derivatives. GMP-certified facilities use it in multi-step organic synthesis routes, prioritizing consistent quality, traceability, and strict impurity control. Process engineers optimize batch or flow chemistry according to pharmacopoeial monograph definitions, referencing regional and international standards to ensure that resulting APIs meet the final drug product filing requirements.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP/NF and EP Monographs for relevant intermediates and APIs
    • FDA 21 CFR Part 211: cGMP for Finished Pharmaceuticals
    • EU EudraLex Volume 4: GMP Guidelines

    Typical usage ratio

    • Employed at 0.5–1.5 molar equivalents relative to the main substrate, with adjustments based on desired yield, impurity profile, or downstream reduction/oxidation balancing.

    Downstream process integration

    • Integrated as a core reactant during alkylation or esterification stages in the multi-step synthesis of targeted molecular scaffolds.
    • Undergoes controlled addition into reaction vessels equipped with real-time analytical monitoring (e.g., HPLC or GC checks).

    Final product types

    • Chloroalkyl pharmaceutical API intermediates for cardiovascular, anti-inflammatory, or CNS therapeutics
    • Registered APIs after subsequent purification and validation steps

    2. Agrochemical Synthesis and Crop Protection Formulations

    R&D and production teams use this compound as a structural precursor in select herbicide and fungicide synthesis, exploiting the chloroalkyl and benzeneacetate functionalities to access active molecules with specific phytotoxic or fungistatic characteristics. Its purity, trace residual solvents, and impurity levels must conform to region-specific agricultural chemical standards. For large-scale batch production, formulators monitor reaction mixture parameters closely to ensure reproducibility and downstream formulation reliability.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • REACH Registration, Evaluation, Authorisation and Restriction of Chemicals (EU)
    • China’s GB/T 1600 Agrochemical Quality Specifications
    • ISO 9001-certified process controls

    Typical usage ratio

    • Generally 0.8–1.3 equivalents to main reactant; scaled to reaction efficiency, crop protection spectrum, and regulatory residue limits.

    Downstream process integration

    • Added at defined steps in the chemical synthesis of final agrochemical active substances, prior to formulation into dispersible powder, granules, or suspension concentrates.

    Final product types

    • Herbicidal actives for cereal or broadleaf weed management
    • Fungicidal intermediates with extended field persistence or targeted crop safety profiles

    3. Specialty Polymer Modifier Manufacturing

    Specialty polymer producers incorporate this compound as a functional monomer or side-chain modifier, taking advantage of its unique chloro-substituted alkyl chain to tune end-polymer flexibility, glass transition temperature, or hydrophobicity. Strict monitoring of residual monomers and additive migration profiles supports regulatory compliance for polymer materials intended for coated wires, hoses, or high-durability industrial films, especially in regulated sectors.

    Industry compliance standards

    • EU Regulation (EC) No 1907/2006 (REACH)
    • U.S. EPA TSCA Inventory Status
    • ISO 14001 Environmental Management for chemical processes
    • ROHS restriction levels for electrical applications

    Typical usage ratio

    • Used at 2–8% by weight in specialty copolymer blends; precise content depends on mechanical and chemical property targets for the final polymer matrix.

    Downstream process integration

    • Metered into polymerization reactors using inline viscosity and conversion control measurements during batch or continuous runs.

    Final product types

    • Modified polyester or polyolefin insulation for industrial cables
    • Specialty flexible films or sheets for chemically resistant packaging

    4. Fine Chemical Synthesis for Fragrance Intermediates

    The compound is selected by fine chemical manufacturers for synthesis of specific ester intermediates used in luxury fragrance blending. Its molecular fragment offers tailored reactivity and volatility properties, serving as a building block in aroma chemical libraries for high-value perfume bases. Quality assurance emphasizes ultra-low residual solvent and heavy metal limits, matching perfumery industry traditions for product purity and olfactory assessment.

    Industry compliance standards

    • IFRA (International Fragrance Association) Guidelines
    • EU Regulation (EC) No 1223/2009 on Cosmetic Products
    • REACH Annex XVII – CMR substances restrictions
    • GMP ISO 22716 for cosmetics

    Typical usage ratio

    • Typically incorporated at 3–7% as a fragrance intermediate, with fine-tuning based on volatilization profile or final olfactive characteristics sought by perfumers.

    Downstream process integration

    • Used at the initial condensation or esterification step, followed by multiple purification cycles before aroma blending and product validation.

    Final product types

    • High-end fragrance intermediates for premium perfumes, eau de cologne, and personal care fragrance bases
    • Specialized aroma compounds for use in luxury household or automotive air-care segments
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    Certification & Compliance
    More Introduction

    Introducing Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate: A Practical Look from a Manufacturer’s Perspective

    The Backbone of Fine Chemical Synthesis

    Years in chemical manufacturing have shaped how we view each molecule that leaves our reactors, and Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate stands out for its versatility. Its chemical structure tells an important story, pairing an active chloro-butyryl chain with a dimethylbenzeneacetate core. The formula, C16H21ClO3, isn’t a mouthful just for show—the arrangement of each functional group has been carefully measured, designed, and executed to support specific downstream needs in fine chemical and pharmaceutical synthesis.

    The Value We See in the Molecule

    Experience in the reactor hall brings a deep respect for consistency, and this compound consistently meets tight purity benchmarks. Typical batches range from 98% to 99% purity, measured by gas chromatography, with impurities tracked and controlled well below thresholds that can disrupt later transformations. Ensuring high-quality output starts with feedstock selection, careful calibration of reaction times, and continuous monitoring, not only at endpoint but during every stage.

    One part that often goes unnoticed by outsiders is how minor changes in structure ripple through a process line. The ethyl ester group in Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate simplifies hydrolysis steps. This subtlety saves both solvent and energy downstream, compared with using methyl or propyl esters. The 4-chloro-1-oxobutyl segment enables straightforward nucleophilic substitution, supporting a variety of transformation pathways that cater to developing new agrochemicals and pharmaceutical intermediates.

    Process Reliability Starts with the Right Choices

    Scale-up in chemical manufacturing isn’t just about numbers—the stakes involve worker safety, the integrity of stainless steel reactors, and keep the process reproducible at every volume. In practice, this compound behaves reliably at scale. We have completed batch runs from 1 kg to 500 kg without surprises in yield or byproduct levels.

    Temperature control is a critical stress test for any new molecule. This product displays stable melting and boiling points, which reflects careful synthesis and purification. Crystallization and drying steps present no unusual challenges, meaning loss during post-reaction workup remains well within industry norms—typically under 2%.

    Practical Differentiation from Other Intermediates

    Manufacturers like us deal with many structurally similar molecules, often varying at only a single position on the carbon backbone. Among common benzeneacetate derivatives, this product includes an ethyl ester and a 4-chlorobutyryl chain. These two details change reactivity profiles in ways that influence both economic and safety outcomes during multi-step synthesis.

    The longer butyryl chain introduces a more controlled level of electrophilicity compared with standard acetyl or propionyl groups. This provides gentler reaction conditions for subsequent nucleophilic addition or substitution, making it ideal where sensitive substrates are involved. The chlorine at the fourth position extends these advantages, offering increased selectivity without the expense or waste associated with higher-chlorinated analogs.

    Other intermediates, such as methyl esters or differently positioned chloro groups, often require increased solvent volumes for purification or present challenges with side products. Our data shows clear patterns: better yields and reduced waste reveal themselves batch after batch when using Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate as the starting point. This compound regularly cuts time spent in rework or repurification.

    Applications that Make a Difference

    Production environments tell the true story of a molecule’s value. Over the years, clients in both pharma and agrochemical lines have come back for this compound because of its proven performance in forming advanced intermediates. Specialty applications rely on its unique fit. The ethyl ester’s balance between reactivity and stability makes it favored for constructing peptide linkers, while the butyryl chain’s length positions the core for additional functionalization steps both on the aromatic ring and the aliphatic chain.

    In the pharmaceutical sector, this intermediate finds use in assembling building blocks for non-steroidal anti-inflammatory drug analogs and next-generation antibiotics. The precision with which it undergoes hydrolysis and amide coupling makes downstream purification steps less stressful. In crop protection, the blend of lipophilicity and reactivity adds value when modifying active cores for enhanced plant uptake or microbe resistance.

    Model and Batch-to-Batch Consistency

    Manufacturers often discuss models in marketing, but in the plant, each product batch receives scrutiny through real analytical data. For this product, we rely on NMR, IR, and mass spectrometry to confirm identity and structure. Every lot leaves our plant with a full spectral dataset archived for traceability. Over thousands of kilograms, in-line data logging and sample retention ensure every client can trust batch-to-batch uniformity without deviation.

    Practical experience shows that precise temperature control during esterification and chlorination drastically improves yield and limits side reactions. We record yields upwards of 95% on average, with strict control over exothermic reaction stages. Each specification is not just a target, but a reflection of operations tailored over years—temperature profiles, agitation speed, and solvent choices have all been fine-tuned with real production in mind.

    Physical Properties and Storage

    Chemicals spend more time in warehouses than they do in reactors. Storage conditions matter. Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate benefits from notable stability. Over 12 months, neither color nor potency fades when kept in light-protected containers at room temperature.

    Experience has shown that unlined drums or poly bags are not suitable for anything above ambient temperatures; the product remains stable, but absorption of atmospheric moisture can complicate future handling. We have adjusted our own packaging—now using double-sealed containers, with desiccants included on request, to keep conditions ideal during long-distance shipping. Losses due to decomposition or leakage run far below one percent.

    Quality Control: What Counts in the Real World

    Most specifications make sense only when backed by actual plant experience. We implement in-process monitoring to ensure residual solvent and by-product levels reach acceptable thresholds before packing. Each batch passes assays for residual chloride and free acid content to assure consistent reactivity.

    Troubleshooting in the QC lab has revealed that the 4-chloro substituent stabilizes the molecule against light-induced isomerization—a property that protects both yield and safety. Past trials with other ester variants confirmed higher rates of hydrolysis under similar storage conditions. This level of stability leads to fewer reprocessing campaigns, saving both reagents and time.

    Challenges and Solutions in Upstream and Downstream Processing

    Every compound introduces its own production headaches. During initial trials several years ago, we dealt with variable impurity profiles, particularly from incomplete chlorination and over-alkylation. Solving these required more than theoretical adjustment; plant operators re-tuned reagent feed rates, and QA implemented spot checks directly on the reactor line.

    Harsh conditions risk side reactions that complicate purification. We reduced batch temperatures and switched to milder chlorinating agents to avoid high impurity loads, and we trained output staff to calibrate on-line GC units daily. These steps cut rejected batches by more than half over the following year.

    Another hurdle appeared during scale-up: certain agitator types caused localized overheating, leaving behind tough-to-remove polymeric byproducts. The solution came through real-world observation—switching to low-shear agitators gave us cleaner profiles, and we passed this learning on to customers scaling up their own routes. Our process engineers put time into ongoing sampling and running short daily “pilot” reactions to predict problems before they impact full commercial runs.

    Safety Practicalities

    Chlorinated intermediates often prompt close attention to workplace safety. This product stands up better than more highly chlorinated analogs in terms of vapor pressure and toxicity. In practice, routine handling relies on closed transfer lines and local exhaust, and spills clean up without persistent odors or need for specialty solvents.

    Workers appreciate the relative predictability of this intermediate; skin and eye contact controls follow common guidelines, and over several years we have recorded no serious incidents in routine transfer or processing. Still, consistent PPE use, rapid-response kits, and annual reviews of safety protocols stay in place, and our plant maintains clear labeling and handling instructions for all levels of staff. Our safety record has improved as experience with the product’s behavior—in both winter and summer conditions—has grown.

    Environmental and Regulatory Context

    Chlorinated bench-top intermediates sometimes attract regulatory scrutiny. Local regulations require full reporting of emissions and waste management. Over the past decade, we switched from older, less selective chlorinating reagents to greener alternatives, significantly reducing the volume of chlorinated by-products in waste streams.

    Capture units recover solvent vapors, and off-gas scrubbing cuts chlorine emissions to below the detection limits specified by current regulations. All production plant staff complete environmental compliance training, and our compliance record has earned us continued licensing from regulators—a rare outcome in the sector.

    Waste is segregated, documented, and directed to certified disposal partners, and our warehouse designs now keep incompatible materials physically separated, mitigating risk. Documenting real changes—like the switch from drum washing to closed system cleaning—reflects our recognition of the broader impact chemical manufacture can have on both people and ecosystems.

    Building Customer Success Through Reliable Support

    From the manufacturing floor, quality does not stop with the drum. We’ve listened to customers scaling this intermediate for pilot runs or high-volume syntheses. Technical support, informed by our own experiences in scale-up and troubleshooting, means we offer more than a certificate of analysis. Calls have covered everything from advice on solvent choices to methods for analyzing trace-level impurities. Real-world production involves surprises, and over the years we’ve seen how rapid information sharing improves outcomes for both us and the chemists receiving our product.

    We maintain detailed run histories and batch records, and clients benefit from the ability to request past spectral data or processing conditions that helped us resolve yield issues. This transparency goes beyond regulatory compliance—it builds a partnership that supports innovation.

    Continuous Improvement: Where We Go from Here

    Technology and market needs never stand still. New purification technologies—process membrane units, for instance—have increased throughput and cut solvent waste. Investments in automated HPLC analysis help us anticipate and resolve minor shifts in impurity profiles long before final batch release. Each improvement stems from practical observations outdoors on the shop floor and in conversation with field chemists, not only from theoretical plans.

    We regularly review and update operating procedures and trial fresh approaches as customers bring new applications to our attention. Our plant team sets aside part of each month for “open book” checks—hands-on review of every step from raw material intake to finished product loading. Those sessions have uncovered gains in energy efficiency and led to new logistics partnerships for faster shipping with tighter temperature control.

    Conclusion

    Years of manufacturing Ethyl 4-(4-Chloro-1-Oxobutyl)-Alpha,Alpha-Dimethylbenzeneacetate have provided solid insights into what makes this compound valuable—not just in terms of specification, but in its performance on the line and in the hands of working chemists. Its balance of reactivity, stability, and ease of handling make it a preferred intermediate in complex syntheses. Every improvement stems from observation, experience, and an ongoing commitment to rigorous quality and environmental care. Clients find not only a product, but a partner with real-world understanding and a long-term view shaped by shared manufacturing experience.