The plasticizer database was developed to contain data required in plasticizers application. Attempts were made to include large number of plasticizers used in various sectors of industry to provide information for all users and to help in finding new solutions and formulations. Plasticizers included in the database can be divided into two categories: generic chemical name compounds and commercial plasticizers which are either mixtures of several components, industrial grades of particular compound, polymeric materials, or products having unknown, complex composition. The database contains solvents representing all chemical groups of materials which considered as plasticizers. In most cases, plasticizers differ from solvents by boiling point, which is above 250oC, but some plasticizers are used as temporary plasticizers or are expect to react with other components of mixture. These substances will not meet the boiling temperature standard but will still be included since they play role of plasticizers. The large number of the plasticizers and the data fields makes this database the most comprehensive database on plasticizers ever available in any source.
The plasticizer database is divided into four general sections: General information, Physical & chemical properties of plasticizers, Physical & mechanical properties of plasticized materials, and Health, safety & environmental protection data. Information on the selected plasticizer can be accessed by clicking on any of the above tabs. The database has several hundred data fields to accommodate a variety of data available in source publications. The description of general sections below gives more detail on the composition of information. Each displayed information contains plasticizer name and its chemical structure. The data can be viewed on screen and printed in predefined format.
In General information section the following data are displayed: name, CAS #, IUPAC name, Common name, Common synonyms, Abbreviations, Empirical Formula, Molecular mass, RETECS Number, EPA Code, Chemical Class, Mixture, EINECS number, NFPA Classification, NFPA Health, NFPA Flammability, NFPA Reactivity, WHMIS Classification (Canadian), HMIS Health, HMIS Fire, HMIS Reactivity, HMIS Personal protection, OSHA Hazard Class, UN Risk Phrases, R, UN Safety Phrases, S, DOT Hazard Class, UN/NA, ADR /RID Class, ICAO/IATA Class, IMDG Class, Food law approvals, Producers, Highly recommended for polymers (list of polymers), Recommended for polymers (list of polymers), Fields of application, Other Properties
Physical & chemical properties of plasticizers contain data on State, Odor, Color (Gardner and Platinum-cobalt scales), Boiling point, Melting point, Freezing point, Pour point, Flash point, Flash Point Method, Autoignition temperature, Explosive LEL, Explosive UEL, Iodine Value, Refractive indices at different temperatures, Specific gravity at different temperatures, Density at different temperatures, Vapor density, Vapor pressure at different temperatures, Coefficients of Antoine equation, Temperature range of accuracy of Antoine equation, Acid number, Acidity(acetic acid), Acid dissociation constant, pKa, pH, Ester content, Phosphorus contents, Moisture content, Saponification value, Hydroxyl number, Viscosity at different temperatures, Kinematic viscosity at different temperatures, Absolute viscosity at different temperatures, Surface tension, Solubility in water, Water solubility, Electrical conductivity, Polarity parameter, ET(30), Heat of vaporization at b. p., Heat of vaporization at 25oC, Heat of combustion, Donor number, Acceptor number, Cubic expansion coefficient, Specific heat at different temperatures, Thermal conductivity at different temperatures, Total Hildebrand solubility parameter, Hansen solubility parameters, Henry's law constant, UV absorption max, Volatility
Physical & mechanical properties of plasticized materials section contains data on Tensile strength for different concentrations of plasticizer, Ultimate elongation for different concentrations of plasticizer, Elastic elongation for different concentrations of plasticizer, 100% for different concentrations of plasticizer, Brittle temperature Tb for different concentrations of plasticizer, Low temp. flexibility for different concentrations of plasticizer, Clash-Berg temp for different concentrations of plasticizer, Shore A hardness for different concentrations of plasticizer, Torsional stiffness Tf for different concentrations of plasticizer, Dielectric constant, Volume resistivity at different temperatures, Volatility at different temperatures and concentrations of plasticizer, Rate of migration over time, Oil extraction for different concentrations of plasticizers, Water extraction, Plasticizer migration data, Weight loss in different media, Migration to PS and PE, Smoldering (DMC), Flaming (DMC), Fog No, Crystallization point, Glass transition temp, Crystalline melt temperature
Health, safety & environmental protection data section contains data on TLV - TWA 8h (ACGIH, NIOSH, OSHA), Max concentration CE -15 min STEL, Max concentration any time (Ceiling), Max 30 min exposure concentration, NIOSH-IDLH, Toxicological Information, acute, Rat oral LD50, Mouse oral LD50, Cat dermal LD50, Rabbit dermal LD50, Dermal LD50 (guinea pig), LD50 dermal rat, Inhalation, LC50, (rat, mouse, 4h (mist)), Skin irritation, Eye irritation (human), Carcinogenicity, Teratogenicity, Mutagenicity, Ecological Information, Biological Oxygen Demand, Chemical Oxygen Demand, Theoretical Oxygen Demand, Biodegradation probability, Ratio BD05/COD, IC50 (inhibitory concentration), Aquatic toxicity LC50 (rainbow trout, bluegill sunfish, sheepshead minnow, fathead minnow, daphnia magna, algae), Soil adsorption constant, Hydroxyl rate constant, Ozone rate constant, Ozone depletion potential, Urban Ozone formation, Global warming potential, Oxygen index, Oxirane Oxygen, Montreal Protocol, Partition coefficients (log Koc, Kow, log Kow)
Search is a simple process which can be done in several ways. The most common is to search name. In this case, the program searches through the list of synonyms and proposes choices. Search allows to find plasticizers by typing the first letter or two of their name which moves list to the location of a searched compound. Plasticizers can also be searched by CAS number, empirical formula, or any other property, or simply by browsing the list. In addition to searching capability and viewing data on individual plasticizers, plasticizers can be sorted according to values of any property. This operation is accomplished by clicking the property tab and selection of the required search term from a pull-down menu. The operation returns a selection of plasticizers for which data exist for the selected property. The plasticizer property can be viewed on the screen and used for evaluation of plasticizer suitability for the chosen task or plasticizer selection for application as well as plasticizer comparison.
The above description shows that operation of the database is so simple that it does not require any computer skills. The appropriate computer for database use is a PC-based computer with Pentium processor (or other processor of similar speed) having a screen with resolution of at least 600 by 800 operating under Windows 95 or higher. Program contains operation manual which explains further details of operation. In summary, the database is a very powerful tool, because it contains the most extensive data available on a large number of plasticizers. The database is an excellent companion to the Handbook of Plasticizers because data in the database do not repeat information or data included in the book. The number of data currently available makes presentation of the data in the traditional format of a printed book unsuitable for fast accessing of the information and in this case difficult to handle. The printed form of this database would require at least 4000 pages in a book format. This is several times larger volume than was available in any past book containing information on the plasticizer properties.
Anna Wypych, born in 1937, studied chemical engineering and polymer chemistry and obtained M. Sc. in chemical engineering in 1960. The professional expertise includes both teaching and research & development. Anna Wypych has published 1 book (MSDS Manual), 6 scientific papers and obtained 3 patents. She specializes in polymer additives for PVC and other polymers and evaluates their effect on health and environment.