Compare the Top Free Chemical Software as of January 2026

What is Free Chemical Software?

Chemical software is designed to manage, track, and analyze chemical inventories, processes, and safety data within various industries. It allows users to monitor chemical quantities, storage conditions, hazard classifications, and regulatory compliance in real-time, ensuring safe and efficient handling. With integrated features like Material Safety Data Sheets (MSDS) and automated compliance checks, the software helps organizations meet regulatory standards and reduce risks. It streamlines data entry, automates alerts for stock or safety issues, and supports complex chemical analyses and modeling. Chemical software is essential in fields such as pharmaceuticals, manufacturing, research, and education, where precise chemical management is critical for both safety and operational success. Compare and read user reviews of the best Free Chemical software currently available using the table below. This list is updated regularly.

  • 1
    SDS Manager

    SDS Manager

    SDS Manager

    SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning QR code posters placed in work areas where chemicals are used, enhancing safety and compliance in the workplace. Our automated data extraction feature allows you to add SDS files to your library with zero typing required, streamlining the process and ensuring accuracy. The one-click Secondary Container Labeling provides an efficient solution for enhancing safety and regulatory compliance Receive alerts on restricted substances in the chemicals you utilize, including those listed under REACH - ECHA, California Proposition 65, ZDHC, and more. The Chemical Risk Assessment function is designed to evaluate and manage the risks associated with handling and storing chemicals.
    Starting Price: $468/year
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  • 2
    Metso Outotec HSC Chemistry
    Essential software toolkit for mineral processing professionals for process research, development, and analysis. Carry out thermodynamic and mineral processing calculations on a standard computer quickly and easily. Essential software toolkit for process research, development, design, and digitalization, as well as for estimating process efficiencies, yields, and environmental footprints. Visit our web site for further details.
    Starting Price: 500 EUR per year
  • 3
    FindMolecule

    FindMolecule

    FindMolecule

    FindMolecule is an innovative online inventory and ELN platform for chemists and biologists. It is used in labs all around the world to improve their efficiency. Great for structure searches, barcode scanning, health & safety, orders management and much more. The electronic lab notebook is the most intuitive on the market. Our inventory management software and our ELN are very intuitive. FindMolecule is built to satisfy the requirements of the most security-sensitive organizations. Link your inventory to your electronic lab notebook in one click! Use our innovative drawing application to search your products by structure. No more excel files is requiered! Reduce errors and eliminate waste time of manual recordkeeping using barcodes. Use our chemical inventory management system and facilitate your work with our advanced features: the multiscan module, the structure and substructure search, the “Order” section including an impressive database.
  • 4
    LLumin

    LLumin

    LLumin, Inc.

    LLumin's CMMS+ is comprehensive software that efficiently manages your assets, facilities, and maintenance operations. With LLumin's CMMS+, you will streamline maintenance workflows, reduce downtime & increase productivity while saving time and money. Key functionality includes asset management, work order management, preventive maintenance, inventory management, reporting & analytics. These features are designed to streamline maintenance operations & maximize the lifespan of your assets. You will reduce maintenance costs, improve asset performance, and increase uptime. With features such as work order management, preventive maintenance, safety-related maintenance tracking, workflows & real-time alerts, LLumin will ensure your equipment and facilities are maintained to regulatory standards and safety protocols, promoting a safe, efficient working environment. Furthermore, you will be empowered to make informed decisions, optimize resource allocations, and improve overall efficiency.
    Starting Price: $45 per month / user
  • 5
    LabCollector LIMS
    LabCollector Lab Services Manager (LSM) is a cutting-edge network-based software solution that helps core facilities, laboratories, and biotechs. Simple and fully comprehensive, LabCollector LMS helps users manage a variety of useful day-to-day lab information. The solution comes with powerful modules, such as Strains & Cells Module, Plasmids Module, Sequences Module, Antibodies Module, Chemical Structures Module, Reagents & Supplies, Animals Module, Samples Module, Documents Module, Equipment Module, Address Book Module, and so much more.
    Starting Price: $2500.00/one-time/user
  • 6
    ChemInventory

    ChemInventory

    Antipodes Scientific

    ChemInventory helps you organize your laboratory's chemical stock, cutting the time spent by your group members searching for compounds, and letting them get on with their work. ChemInventory is secure, cloud-based software that allows you to manage the chemical containers in your laboratory. You and your research group members can search instantly for compounds by name, CAS registry number, structure or any number of your own custom fields. Chemical structures are presented alongside other relevant information in search results. ChemInventory can be accessed from any device - including PCs and Macs. You no longer need to have your inventory tied to a single computer. All data stored on our servers is encrypted using the industry standard AES-256 algorithm. To protect against data loss, we backup our databases daily. Unique barcodes can be assigned to each container, enabling simple and fast stocktaking procedures with a barcode scanner.
    Starting Price: $56 per year
  • 7
    iChemistry

    iChemistry

    Intersolia

    Since 1999, we’ve been providing our customers with the market’s most complete chemical management solution, developed in collaboration with our customers and our market-leading experts. iChemistry is our cloud-based solution for the end users in the chemical management supply chain. Our software helps you manage environmental, health, and safety performance, ensure compliance, minimize risk, and improve profitability. Create and distribute safety sheets so that you can identify risks, prevent accidents, and reduce workplace hazards. Comply with government requirements such as REACH or GHS. Become more sustainable by working proactively to reduce hazardous chemicals. Increase efficiency and control, so that you can free up more time and resources. With iChemistry, you also get access to our integrated SDS service that has one of Europe’s largest databases for safety data sheets. All of our SDS are digitized, which means that you get instant access to all essential information.
    Starting Price: Free
  • 8
    Astracore Biobanking
    The Astracore Biobanking System can be used for a variety of purposes such as managing biological samples (specimens), research or anywhere a hierarchical transaction based storage management and analysis system is required. The biobank can be any kind of repository or bio-repository that requires storing, tracking and management of samples of any kind, whether low temperature or ambient. Storage medium may be of any type including physical or virtual samples. Participant personal information can be stored as either fully identified, as a pseudonym or de-identified. Access can be restricted to select users via security profiles. The system uses an intuitive, hierarchical and normalised structure for managing storage at multiple levels. The levels are configurable via drag-n-drop. Included is a 2D visualisation tool for viewing details which shows vacant and occupied positions of storage. The actual storage used can be local, remote, physical or virtual.
  • 9
    Toxnot

    Toxnot

    Toxnot

    Generate compliance & sustainability reports using accurate materials data maintained by suppliers. Be prepared for unpredictable evolving global regulations. Improve product transparency with full material disclosure. Manage your circular products for end of life & takeback. Turn supply chain complexity into customer ready communications. Leverage Toxnot's supplier ecosystem to find or request data of your products. Easily integrate supply chain data to analyze your product portfolio. Quickly and efficiently respond to customer data requests. Easily integrate & manage all your supply chain data across every product in your company. Save time spent on managing your product compliance. Visualize data and configure any regulations you need when managing your products. With Toxnot you're able to unify all your product compliance data across your supply chain on one platform.
    Starting Price: $600 per month
  • 10
    DWSIM

    DWSIM

    DWSIM

    DWSIM is a free and open source CAPE-OPEN compliant chemical process simulator that operates across multiple platforms, including Windows, Linux, macOS, Android, and iOS. It features an intuitive graphical user interface and offers capabilities previously exclusive to commercial simulators. DWSIM supports both steady-state and dynamic simulations, utilizing a parallel modular solver for efficient modeling. It includes advanced property packages. The simulator provides a comprehensive suite of unit operations, including mixers, splitters, separators, pumps, compressors, expanders, heaters, coolers, valves, pipe segments, shortcut columns, heat exchangers, various reactors, distillation and absorption columns, solids separators, cake filters, spreadsheets, Python scripts, and flowsheet unit operations. It also provides an Excel Add-In for performing thermodynamic calculations within spreadsheets and an automation API for creating, loading, modifying, running, and saving flowsheets.
    Starting Price: Free
  • 11
    ChemCopilot

    ChemCopilot

    ChemCopilot

    ChemCopilot is an AI-native chemical formulation and product lifecycle management platform designed to transform how scientists, engineers, and R&D teams design, test, optimize, and manage chemical products and processes by combining advanced artificial intelligence with domain-specific chemistry knowledge, regulatory data, simulation capabilities, and real-time insights. It automates validation of product labels, ingredient restrictions, and safety data sheets against global compliance frameworks, eliminating disconnected spreadsheets and manual review while providing audit trails and real-time alerts to support regulatory adherence. ChemCopilot accelerates innovation by simulating chemical reactions, molecular interactions, and process workflows to predict formulation performance and outcomes that traditional general-purpose tools cannot provide, and it integrates real-time data from laboratory and industrial systems to drive data-driven decisions.
  • 12
    MixIT

    MixIT

    Tridiagonal Solutions

    MixIT is the next-generation collaborative mixing analysis and scale-up tool designed to facilitate comprehensive stirred tank analysis using lab and plant data, empirical correlations and advanced 3D CFD models. It combines knowledge management tools and mixing science in a unified environment deployable enterprise-wide. Create, update and share your geometry details, operating conditions, plant measurements, and experimental & CFD data across multiple users globally. Design a reactor to achieve the desired mixing performance. Quickly select multiple reactors and compare their performance. From geometry creation to analysis to report generation, perform fully automated 3D CFD flow simulations for stirred reactors including tracer simulations and heat transfer analysis. MixIT is the next generation collaborative mixing analysis and scale-up tool designed to facilitate comprehensive stirred tank analysis using lab and plant data, empirical correlations and advanced 3D CFD models.
  • 13
    CDD Vault

    CDD Vault

    Collaborative Drug Discovery

    With CDD Vault, you can intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. Start your free trial and see first hand how easy it is to manage drug discovery data. Tailored for you Affordable Scales with your project team(s) Activity & Registration * Electronic Lab Notebook (ELN) * Visualization * Inventory * APIs * Secure Online Hosting
  • 14
    Torx

    Torx

    Cresset Group

    Make better design decisions and track compound synthesis from start to finish with ease. Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze that work in synergy to deliver a complete discovery cycle platform. Design molecules faster, capture and share knowledge, and manage resources with ease. Collaborative team working and information delivery for all roles in the DMTA cycle. However you refer to it, 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze', all small molecule chemistry teams go through a common process: design molecules, make or synthesize compounds, then test and analyze the results before the next iteration; it’s the mantra of chemistry teams all over the world.
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