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Isopropyl Acetoacetate

    • Product Name Isopropyl Acetoacetate
    • Alias 3-Oxobutyric acid isopropyl ester
    • Einecs 239-240-1
    • 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

    262278

    Cas Number 625-54-7
    Molecular Formula C7H12O3
    Molar Mass 144.17 g/mol
    Appearance Colorless liquid
    Density 1.01 g/cm³
    Boiling Point 173-175 °C
    Melting Point -48 °C
    Solubility In Water Slightly soluble
    Refractive Index 1.424
    Flash Point 69 °C
    Vapor Pressure 1 mmHg (at 20 °C)
    Odor Mild, pleasant

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

    Packing & Storage
    Packing 1-liter amber glass bottle with secure screw cap, labeled "Isopropyl Acetoacetate, 99%," hazard symbols, and handling instructions.
    Shipping Isopropyl Acetoacetate should be shipped in tightly sealed containers, kept away from heat, sparks, and open flames. It must be handled as a flammable liquid and transported according to applicable local, national, or international regulations. Ensure proper labeling, use appropriate secondary containment, and avoid exposure to strong oxidizing agents during transit.
    Storage Isopropyl acetoacetate should be stored in a tightly closed container, in a cool, dry, and well-ventilated area away from heat, sparks, and open flames. Protect it from direct sunlight, moisture, and incompatible substances such as strong oxidizers and acids. Proper chemical storage cabinets and secondary containment are recommended to prevent leaks or spills. Store at room temperature and label containers clearly.
    Application of Isopropyl Acetoacetate

    Applications of Isopropyl Acetoacetate in Industrial Manufacturing

    As an established manufacturer, we supply Isopropyl Acetoacetate to industries that require precise raw material performance and process integration. Below, we detail primary B2B application fields where this material offers reliable, documentable value, strictly focusing on real downstream use cases.

    1. Agrochemical Intermediate Synthesis

    Agricultural chemical producers depend on Isopropyl Acetoacetate as a key building block in synthesizing a range of selective herbicides and fungicides. This compound reacts efficiently within multi-step processes to form key heterocyclic scaffolds and complex active ingredients essential for crop protection. Usage ratios are calculated according to process yield, reactivity with specific coupling agents, and impurity control, ranging from pilot to full-scale batch runs. Manufacturers subject every batch to thorough quality control and documentation per sector compliance requirements.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for Chemical Manufacturing
    • REACH Regulation (EC) No 1907/2006
    • FAO/WHO Technical Guidelines for Pesticide Ingredients
    • Globally Harmonized System of Classification and Labelling of Chemicals (GHS)

    Typical usage ratio

    • 5–20% of total reaction mass; adjusted according to molar balance and target yield for the desired agrochemical compound
    • Ratio optimized to minimize residuals below accepted threshold levels set by downstream QC labs

    Downstream process integration

    • Added during initial condensation steps for pyrimidine or triazine ring formation
    • Integrated as an acetoacetylating agent in N-heterocycle alkylation paths
    • Blended in agitated reaction vessels under glycol or DMF solvents for controlled nucleophilic substitution chemistry

    Final product types

    • Triazine herbicides (e.g., atrazine intermediates)
    • Strobilurin class fungicide actives
    • Herbicide safener synthons
    • Seed treatment active ingredient precursors

    2. Pharmaceutical Intermediate Manufacturing

    Contract and generic Active Pharmaceutical Ingredient (API) manufacturers employ Isopropyl Acetoacetate in the synthesis of essential intermediates underlying a spectrum of pharmaceutical molecules. It participates in condensation and acetoacetylation steps that define scaffold assembly, often in small-molecule antihistamines, antipyretics, and cardiovascular drug synthetics. Usage is tightly controlled based on process validation protocols, with thorough compliance to pharmacopoeial and cGMP systems.

    Industry compliance standards

    • Good Manufacturing Practice (GMP), ICH Q7
    • Ph. Eur., USP–NF, JP (where applicable)
    • FDA 21 CFR Part 211 (for US-market APIs)
    • EDQM and EMA guidelines for chemical API manufacture

    Typical usage ratio

    • 3–12 mol% relative to main amine nucleophile in condensation or acetoacetylation steps
    • Adjusted by batch size, downstream conversion efficiency, and route-specific stoichiometry

    Downstream process integration

    • Introduced during enamine or diketone formation in the early-stage API pathway
    • Serves as acetoacetyl donor in closed-system reactors with temperature and pH monitoring
    • Used during the acetoacetate condensation phase of intermediate synthesis prior to hydrogenation or cyclization steps

    Final product types

    • Paracetamol (acetaminophen) intermediates
    • Pyridine and pyrazolone-based API intermediates
    • Antihistamine intermediate compounds
    • Intermediates for cardiovascular low-molecular active substances

    3. Dyes and Pigments Manufacturing

    Specialty dye and pigment manufacturers utilize Isopropyl Acetoacetate as a core acetoacetylating reagent for azo pigment and high-performance dye synthesis. It enables the construction of molecular chromophores with high tinting strength and lightfastness. Usage ratios are customized per molecule, impacting coupling efficiency and final hue. The compound enters the process at critical diazotization or coupling steps, and all batches conform to rigorous QC and regulatory supply chain standards.

    Industry compliance standards

    • OEKO-TEX® Standard 100 (for restricted substances in textile dyes)
    • EU Regulation (EC) No 1272/2008 (CLP) for classification and labelling
    • EN 71-3:2019 for safety in toy colorants
    • ISO 787 for testing pigments and extenders

    Typical usage ratio

    • 4–15% of total batch mass, depending on chromophore design and pigment class
    • Adjusted higher or lower based on the target absorption spectra in UV/Vis analysis

    Downstream process integration

    • Introduced during the diazo or keto-enol coupling stage for pigment precipitation
    • Reacts with aromatic amines to generate acetoacetyl aryl intermediates
    • Processed in jacketed reactors with pH and temperature control to manage coupling efficiency

    Final product types

    • Azo lake pigments for inks and coatings
    • Synthetic textile dyes (direct, acid, and disperse)
    • Plastisol pigment dispersions
    • Automotive and industrial coatings colorants

    4. Polymer Modifiers and Resin Synthesis

    Producers of specialty resins and functional polymers use Isopropyl Acetoacetate as an acetoacetylating monomer to modify polymer chains or introduce reactive ketone groups for advanced crosslinking. It provides controlled reactivity for UV-curable, thermosetting, and self-crosslinking resins. Addition levels relate closely to the polymer backbone structure and desired functionality, ensuring compliance with downstream industry standards for coatings, adhesives, and plastics.

    Industry compliance standards

    • ISO 14001 Environmental Management (for polymer production sites)
    • ASTM D7767 for coating raw material evaluation
    • EN 71-3 for toy-safe coatings and adhesives
    • RoHS 2011/65/EU for electrical and electronic equipment polymers

    Typical usage ratio

    • 1–8 wt% in monomer or prepolymer blends, tailored for target crosslinking density and molecular weight
    • Ratio depends on backbone composition (e.g., acrylic, epoxy, or urethane systems)

    Downstream process integration

    • Introduced during prepolymerization to acetoacetylate polyol or acrylate functional groups
    • Fed into reaction vessels prior to addition of curing agents or crosslinkers
    • Controlled dosing to eliminate excess ketone functionality per polymer QC requirements

    Final product types

    • Self-crosslinking acrylic resins for low-VOC paints
    • Isocyanate-free polyurethane dispersions
    • Functional adhesives for automotive and electronics assembly
    • Water-based polymeric binders for textile finishing

    5. Flavors & Fragrance Ingredient Synthesis

    Producers in the flavors and fragrances segment apply Isopropyl Acetoacetate in synthesizing aroma molecules, especially for fruity and floral esters, pyrazines, and cyclic ketone derivatives. Its controlled reactivity supports mild process conditions, reducing by-product levels and ensuring compliance with food and personal care regulations. Material addition strictly follows flavor house specifications and global food additive frameworks.

    Industry compliance standards

    • FCC Food Chemicals Codex (for food-grade applications)
    • IFRA Code of Practice (for fragrances)
    • ISO 9001:2015 for flavor and fragrance manufacturer certification
    • EU Regulation (EC) No 1334/2008 (Flavourings in food)

    Typical usage ratio

    • 0.5–4% of flavor/fragrance reaction batch size, determined by desired aromatic concentration and synthesis route
    • Level controlled to ensure final residue thresholds below legal limits for food or cosmetic use

    Downstream process integration

    • Charged during esterification or cyclization reaction steps to obtain target aroma compounds
    • Employed in fine chemical reactors equipped with distillation columns for volatile separation
    • Acts as an enolate precursor for heterocyclic aroma backbone construction

    Final product types

    • Fruit and berry flavor bases (e.g., ethyl isobutyrate derivatives)
    • Pyrazine analog fragrance intermediates
    • Ketone-based perfume blenders and enhancers
    • Natural-identical flavor and fragrance concentrates
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    Certification & Compliance
    More Introduction

    Introducing Isopropyl Acetoacetate: A Practical Perspective from the Manufacturer

    From years spent refining the process floor and responding to the chemical industry’s shifting needs, we’ve seen how specialized intermediates like Isopropyl Acetoacetate bridge advancements in everything from pharmaceuticals to agrochemicals. To us, this isn’t just another molecule. We monitor its performance through both small and bulk batches, watching its color, purity, and consistency under changing production demands.

    Clarity on the Product

    Our production of Isopropyl Acetoacetate delivers a clear, nearly colorless liquid; the model our facility puts out typically meets a purity above 99%. The boiling point ranges from 172°C to 174°C in atmospheric settings. For chemists, this represents a stable and reliable starting block, showing predictable reactivity for both small-lab syntheses and thousand-liter runs. Each batch is fully traceable back to raw materials and process conditions, so unexpected variances seldom arise.

    Lab folks recognize its molecular formula as C7H12O3, but what truly stands out in repeated industrial applications is its unique balance of reactivity and safety. Our team’s experience with Isopropyl Acetoacetate has reinforced its edge in reactions like Michael additions, enolate chemistry, and preparation of heterocyclic scaffolds—steps commonly needed in advanced pharmaceutical synthesis. Its higher boiling point compared to methyl or ethyl variants lends a different workload profile; it won’t evaporate off as rapidly during distillation, which matters when minimizing losses and unwanted side reactions.

    From Raw Feedstock to Final Use

    The actual manufacturing environment needs consistency, right down to solvent handling and waste management. Isopropyl Acetoacetate requires safe handling—its faint fruity odor can catch new operators unaware, not from toxicity issues but because leaks signal process inefficiency and material waste. We hold occupational exposure guidelines in all areas: not just for legal compliance, but because chemical engineers here rely on a predictable workplace to avoid costly shutdowns or reprocessing cycles.

    Our product batches typically appear with less than 0.5% water by Karl Fischer titration, reducing unwanted hydrolysis in users’ lines. Packing into fluorinated drums or stainless tanks controls risk of contamination. We avoid glass for bulk storage—glass surface area, especially in reused containers, can seed micro reactions that drop overall purity. Every time a new operator joins, we train on these real process points, not just what you find in textbooks.

    Applications: Real-World Roles

    Isopropyl Acetoacetate supports some of the most innovative pharmaceutical syntheses our customers have described in plant audits. Its role as a beta-keto ester opens doors to efficient production of antipyretic and anti-inflammatory actives. We’ve supported teams reworking a pain reliever intermediate synthesis by switching from methyl to isopropyl derivatives—reducing volatility during high-throughput batch runs and slashing cleaning downtime.

    This molecule also responds well in dyestuff manufacturing, especially for creating azo pigments in tailor-made shades. We keep customer process chemists in the loop as our internal testing includes common pigment precursor reactions: this lets them predict outcomes more confidently, especially when adjusting feeds from classic methyl acetoacetate to isopropyl versions. Throughout, our technical support staff draws on real plant issues we’ve solved, not theory.

    What Sets Isopropyl Acetoacetate Apart

    Many in the field know methyl and ethyl acetoacetates feature lighter weights and higher volatility. Isopropyl Acetoacetate, by contrast, stays put longer in heated systems. This physical property changes heat control profiles during large-scale syntheses; plant engineers tell us it makes all the difference when running continuous production. We learned to adjust condenser chiller settings after switching some upstream processes to this material, which ultimately reduced cooling water use by nearly 10%.

    Its relative hydrophobicity helps achieve better partitioning in extractions involving less polar organic solvents. In one solvent extraction program, the switch to isopropyl acetoacetate from methyl acetoacetate nearly halved post-run drying time because of reduced water uptake. These seemingly small operational benefits become crucial for larger installations where energy and time add up fast. Small details like shelf-life also matter: our stored drums show fewer degradation signs over six months in moderate climates, testing for acidity and basicity with each release.

    Challenges in Manufacturing and Use

    One factor often overlooked involves purification. Raw isopropyl acetoacetate from synthesis contains minor side-products—typically less than 1%—arising from esterification and transesterification steps. Early on, we saw how minor batches could harbor residual isopropanol or byproduct esters; we tightened our distillation columns with extra trays and reflux capability, allowing us to achieve higher and more predictable purity.

    Handling bulk storage in humidity-prone regions taught us to minimize headspace exposure by applying nitrogen blanketing. Those skipping this step often report bottle-to-bottle consistency issues. While laboratory users can sometimes get away with glass stoppered flasks, industrial applications reap the benefit of steel and lined containers under inert gas. As for plant accidents, our incident review board meticulously monitors any equipment growths or corrosion. Isopropyl acetoacetate does not promote the kind of aggressive corrosion its methyl cousin can show, lending it an edge in older steel and alloy reactors.

    Downstream Impact: Supporting Creativity and Cost Control

    We maintain regular discussions with process and product development specialists at client facilities, often sharing what tweaks to agitation, temperature ramps, or solvent choices yield the highest throughput with minimal material waste. These conversations have led to surprising conclusions: in one instance, a pharmaceutical lab using isopropyl acetoacetate found smoother purification steps and higher yields when they altered phase separation conditions, counterintuitive at first but explained by subtle solubility shifts. By inviting feedback from real users, we enhance our in-house protocols too.

    From our own records, application in acetoacetylation reactions for dye industries regularly extracts more vivid pigments with less secondary precipitation. Our technical team identified that by controlling initial water content, pigment makers see not only purer color but also reduced filter cake after each run. This reduces downstream filter maintenance and labor, a point often not captured by formal product datasheets.

    Why Professional Teams Gravitate Toward This Material

    For advanced R&D, switching to isopropyl variants can offer new structural motifs, opening the door to unique molecular architectures that methyl or ethyl acetoacetate simply can’t match once in the lab. Our in-house researchers have used it to unlock ring structures with improved pharmacokinetic properties, often under milder conditions. These benefits pass on directly to downstream products. In the agrochemical space, isopropyl acetoacetate proves itself in the synthesis pathway of several herbicidal and fungicidal actives, enabling focused substitutions and introduction of side groups otherwise blocked by more bulky esters or volatile reactants.

    Material cost does weigh in many purchasing decisions. Isopropyl acetoacetate typically comes at a slight premium compared to methyl and ethyl types, reflecting both its higher boiling point and the care required in purification. For our customers running large-scale operations, this upcharge is countered by lower evaporation losses and higher isolated yields. Execution time drops as less rework arises from batch inconsistencies, saving both energy and payroll.

    Providing Real-World Reliability

    Supply interruptions can cripple a production line. Our schedule relies on tight supply chain integration; we keep raw isopropanol and diketene stocks in house to buffer against unexpected disruption. Each week, production logs track yield and purity against standard operating conditions, so no surprise drops go uninvestigated. We share weekly analytics summaries with our technicians, looking for trend shifts and trouble spots, knowing an unchecked hiccup today could mean emergency shutdowns and missed shipments next month.

    Customers occasionally ask why not just switch between acetoacetate variants at will. Real results show the answer: swapping methyl for isopropyl changes not just volatility but also phase behaviors and contaminant carryover. Our own process models predict these impacts, and we rerun pilot plant trials every time suppliers suggest a raw material substitute. Using real test results—not assumptions—shields us and our partners from unexpected product failures.

    Looking Deeper at Handling and Compliance

    Practical chemical manufacturing doesn’t stop at synthesis. We focus on delivering each drum or container within global regulatory norms, maintaining certification records for every outgoing lot. All our plant operators receive regular refreshers on spill response, and our logistics team adheres to global transportation guidelines for packaging, shipping, and unloading volatile esters like this one. While Isopropyl Acetoacetate exhibits a relatively mild hazard profile, plant safety systems remain rigorous. Fire suppression, vapor detection, and emergency wash protocols are reviewed monthly.

    The greatest compliance risks rarely come from core process steps. In most reported incidents, deviation arose from cross-contamination during transfer or improper drum sealing. We regularly audit filling lines, often catching minor wear or leaky gaskets before shipments leave our dock. Each detection leads to process tweaks based on what’s actually happening on the ground—not hypothetical scenarios.

    Shaping Sustainability in the Chemical Supply Chain

    In a world increasingly focused on responsible sourcing, we’ve diverted production waste streams for recovery and recycling wherever possible. Volatile losses are reduced with closed loop systems; spent isopropanol from washes gets distilled and reused instead of discharge. This focus on waste management does more than trim disposal costs—it helps to limit supply risk, because every liter recovered means less dependent on unpredictable supply markets. Our tracking shows production-related waste on isopropyl acetoacetate synthesis dropped nearly 30% in the past two years, a critical metric as corporate buyers ask more frequently about sustainable practice.

    Most of our major customers have begun asking about life-cycle impacts. Our team carries out regular assessments for carbon footprinting on both raw and finished products. Shifting to bulk shipments and multi-use containers, instead of single-use drums, plays a surprising role here. This practical change alone has reduced our packaging waste stream by several metric tons annually, backed by real shipment data.

    Unique Process Learnings Guide Continuous Improvement

    Experience in plant troubleshooting tells us issues don’t always start in the reactor. Raw material moisture content, neglected filtration hardware, or overlooked tank residue all shape final product quality. Our protocol always requires a cleaning log review between steps, and we’ve found that taking a few extra minutes before a fresh production cycle typically pays off—fewer impurities, easier distillation, better customer feedback.

    Unexpected batch-to-batch variation sometimes signals deeper process issues. Our analytical team runs not only finish-line purity tests but checks all intermediate stages, allowing us to trace sources of deviation. A minor parameter shift, like condenser pressure creep or raw alcohol pH drift, gets addressed at the first sign of trouble rather than postmortem on a rejected run. This real-world vigilance avoids costly recalls and returns, a risk that even the best-designed plant can’t entirely eliminate without active monitoring.

    Collaboration Drives Better Results

    We believe that direct, ongoing interaction between producer and customer drives superior performance. During customer visits, we’ve observed firsthand the setup of downstream reactors and solvent stripping stages. Sharing nuanced operating data, such as optimal vacuum settings or agitation speeds, helps both sides boost total productivity. We’ve sometimes found that a small, seemingly unrelated process tip—such as temperature hold time before final distillation—delivered a measurable jump in end-product purity.

    This spirit of collaboration cuts across sectors. Small research labs benefit from technical guidance on reaction optimization, while large multinational groups review annual supply contracts for cost efficiencies and guaranteed up-time. Our ability to flex production scale and sequencing soaks up seasonal and emergency demand swings, proving out the value of local, responsive manufacturing.

    No Substitute for Proven Performance

    We often say that living through a few full plant shutdowns and surprise demand spikes teaches lessons that textbooks can’t offer. Our operation’s decades-long experience in producing Isopropyl Acetoacetate has prepared us to meet these unexpected turns. By holding to rigorous operational standards and embracing continuous improvement—from plant maintenance to dialogue with customers—we’ve sustained quality over thousands of shipments.

    In this product, as in all chemical production, it’s the sum of daily hands-on effort and technical judgement that sets reliable material apart. Our clients rely not just on a chemical, but on the record of consistent supply, rapid support, and technical depth that only a true manufacturer can provide.