Deformulation, study of the chemical composition of formulas or materials

De-formulation, also known as "chemical reverse engineering," is the process of breaking down a formula (a finished product) to identify and quantify all of its ingredients or chemical components. The goal is to understand the product's exact composition, including the raw materials used, their proportions, and sometimes even the structure of complex molecules.

Deformulation is useful in many contexts:

• Understanding a competitor’s product: identifying the key ingredients and proportions in a competitor’s product can help develop similar or superior products.

• Problem solving: if a product has defects or unsatisfactory performance, deformulation can help identify the ingredient or ingredient interaction causing the issue.

• Quality control: verifying that suppliers comply with composition specifications for raw materials or finished products.

• Improving existing products: identifying opportunities to optimize costs, improve performance, or substitute ingredients.

• Regulatory compliance: ensuring that products comply with regulations on composition and labeling.

• Research and development: gaining knowledge of existing formulations to innovate and create new products.

Almost any formulated product can be deformulated. This includes, but is not limited to:

• Cosmetics: creams, lotions, shampoos, makeup, perfumes.

• Pharmaceutical products: tablets, syrups, ointments, vaccines (although more complex).

• Polymers and plastics: films, packaging, composites.

• Paints and coatings: lacquers, varnishes, inks.

• Adhesives and sealants: glues, silicones.

• Industrial chemicals: lubricants, cleaners, detergents.

A combination of techniques is generally required, including:

• Chromatography:

  • GC (Gas Chromatography) / GC-MS (Gas Chromatography-Mass Spectrometry): For volatile or semi-volatile compounds.

  • HPLC (High-Performance Liquid Chromatography) / LC-MS (Liquid Chromatography-Mass Spectrometry): For non-volatile or heat-sensitive compounds.

  • GPC/SEC (Gel Permeation Chromatography / Size Exclusion Chromatography): For determining the molecular weight of polymers.

• Spectroscopy:

  • FT-IR (Fourier Transform Infrared Spectroscopy): For identifying functional groups and bond types.

  • NMR (Nuclear Magnetic Resonance): For molecular structure elucidation.

  • XRF (X-ray Fluorescence Spectrometry) / ICP-OES (Inductively Coupled Plasma Optical Emission Spectrometry): For elemental analysis (metals, minerals).

• Microscopy:

  • SEM (Scanning Electron Microscopy) / EDX (Energy-Dispersive X-ray Spectroscopy): For surface imaging and localized elemental analysis.

• Thermal techniques:

  • TGA (Thermogravimetric Analysis): To determine composition based on mass loss through heating.

  • DSC (Differential Scanning Calorimetry): For phase transitions and material purity.

• Other techniques:

  • Titrimetry, pH measurement, density measurement, viscometry, etc., for specific physical and chemical properties.

Choose a laboratory that:

• Has proven expertise in the type of product you want to deformulate.

• Offers a wide range of advanced analytical techniques.

• Has a team of qualified experts in analytical chemistry and data interpretation.

• Provides strict confidentiality and a rigorous ethical framework.

• Delivers clear, detailed, and interpreted reports.

• Can offer guidance on the most appropriate analytical strategy for your needs.

Almost all polymer-containing materials can be deformulated, including:

• Plastics: packaging films, injection-molded parts, extruded profiles, fibers, etc. (PE, PP, PVC, PET, PS, ABS, PC, PA, PMMA, etc.).

• Elastomers/Rubbers: seals, tires, hoses, gloves (NR, SBR, EPDM, NBR, FKM, silicone, etc.).

• Composites: fiber-reinforced materials (glass fiber, carbon fiber) with polymer matrices (epoxy, polyester, vinyl ester).

• Adhesives and sealants: glues, silicones, polyurethanes.

• Paints and coatings: surface coatings, varnishes, inks.

• Foams: polyurethane, expanded polystyrene, etc.

• Textile fibers: polyester, polyamide, polypropylene, acrylic, etc.

Yes. By identifying the type of polymer, fillers (type, size, surface treatment), plasticizers, and compatibilizers, it is possible to understand why a material has certain mechanical properties. This information can then be used to modify the formulation to improve rigidity, flexibility, impact resistance, durability, etc.

Deformulation is essential for recycling because it makes it possible to precisely identify the types of polymers present in plastic waste. For effective recycling, it is crucial to separate different polymers (for example, PET from PVC) because incompatible blends can degrade the properties of the recycled product. In addition, it can help identify the presence of problematic additives (such as certain flame retardants) that may make a material unsuitable for recycling or require specific treatment.