The Solvent Database was first developed in 2001 to contain data vital in any solvent application in one comprehensive source. It had initially slightly over 1000 common solvents The fourth edition of the database had total 1627 solvents, consisting about 60% solvents having generic chemical name and remaining were industrial solvents which were mixtures of component solvents. The solvents in the database belong to 30 groups listed in the table of contents. It is noticeable that 10 new groups of solvents recently included, are for green solvents.
In addition to the solvent applications, database is very useful tool for those who are interested in curatives (for example, a large collection of amines and polyhydric alcohols are included), common monomers also used as solvents, and low boiling liquids used in aerosols. The large number of the solvents and the data fields makes this database with about 90,000 individual data the largest and the most comprehensive database on solvents. This edition contains all important “green solvents”.
The solvent database is divided into five sections: General, Physical, Health, Environmental, and Use. Information on the selected solvent can be accessed by clicking on any of the above tabs. The database has 140 data fields. The figures below show real screens available in the database. Each screen contains solvent name and its chemical structure. The data can be viewed on screen and printed in a predefined format.
In the General section the following data are displayed: Name, CAS number, Acronym, Chemical category, Empirical formula, IUPAC name, Mixture, Moisture contents, Molecular weight, Other properties, Product contents, EC number, RTECS number, and Synonyms 1, 2, 3.
Physical section contains data on Name, CAS number, Dielectric constant, Acceptor number, Acid dissociation constant, Aniline point, Antoine temperature range, Antoine constants A, B, and C, Boiling temperature, Coefficient of thermal expansion, Color, Corrosivity, Donor number, Electrical conductivity, Evaporation rates with butyl acetate=1 and ether=1, Freezing temperature, Hansen solubility parameters dD, dP, and dH, Molar volume, Heat of combustion, Enthalpy of vaporization, Enthalpy of vaporization temperature, Henry's law constant, Hildebrand solubility parameter, Kauri butanol number, Odor, Odor threshold, pH, Polarity parameter, ET(30), Refractive index, Solubility in water, Specific gravity, Specific gravity temperature, Specific heat, State, Surface tension, Thermal conductivity, Vapor density, Vapor pressure, Vapor pressure temperature, Viscosity, and Viscosity temperature.
Health section contains data on Name, CAS number, Autoignition temperature, Carcinogenicity: IRAC, NTP, OSHA, Mutagenic properties, Reproduction/developmental toxicity, DOT class, TDG class, ICAO/IATA class, packaging group, IMDG class, packaging group, UN/NA hazard class, UN packaging group, Proper shipping name, Explosion limits: lower and upper, Flash point, Flash point method, LD50 dermal (rabbit), LC50 inhalation (rat), LD50 oral (mouse), LD50 oral (rat), Maximum concentration during 30 min exposure (NIOSH-IDLH), Maximum concentration at any time: ACGIH, NIOSH, OSHA, Maximum concentration during continuous exposure for 15 min: ACGIH, NIOSH, OSHA, NFPA flammability, health, reactivity, HMIS flammability, health, reactivity, Route of entry, Ingestion, Skin irritation, Eye irritation, Inhalation, First aid: eyes, skin, inhalation, Chronic effects, Target organs, Threshold limiting value: ACGIH, NIOSH, OSHA, UN number, UN risk phrases, and UN safety phrases.
Environmental section contains data on Name, CAS number, Aquatic toxicity, Bluegill sunfish (96-h LC50), Daphnia magna (96-h LC50) and (48-h LC50), Fathead minnow (96-h LC50), Rainbow trout (96-h LC50), Bioconcentration factor, Biodegradation probability, Biological oxygen demand (20-day test) and (5-day test), Chemical oxygen demand, Atmospheric half-life, Hydroxyl rate constant, Global warming potential, Montreal protocol, Partition coefficient, Ozone depletion potential (CFC11=1), Ozone rate constant, Soil absorption constant, Theoretical oxygen demand, Urban ozone formation potential (C2H4=1), UV absorption.
Use section contains information on Name, CAS number, Manufacturer, Outstanding properties, Potential substitutes, Recommended for polymers, Features & benefits, Processing methods, Recommended dosage, and Recommended for products.
Solvent search is a simple process which can be done in the several ways. The most common is search by a solvent name. In this case, the program searches through the list of synonyms and proposes choices. Searching is easy by typing the first letter or two of their name which moves list to the location of solvent. Solvents can also be searched by CAS number, empirical formula, or any other property, or simply by browsing the list of solvents. In addition to searching capability and viewing data on individual solvents, solvents can be sorted according to values of any property. This operation is accomplished by clicking on the property tab and selection of the required search term from a pull-down menu. The operation returns a selection of solvents for which data exist for the selected property. The solvent property can be viewed on the screen and used for evaluation of solvent suitability for a chosen task or solvent selection for application as well as solvent 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 2000 or higher. Program contains operation manual which explains further details of operation.
In summary, the database is a very powerful tool, considering that it is currently to our knowledge (and it has been for the last 6 years) the largest existing database on solvents. The database is an excellent companion to the Handbook of Solvents because data in the database do not repeat information or data included in the book (Handbook of Solvents also contains large number of numerical data not included in the database). The printed form of this database would require at least 8000 pages in a book format. This is several times larger volume than was available in any past book containing information on the solvent properties.
1 Guide to database operation (selection from general menu)
2 Information on the data fields (left click on data field)
3 Solvent groups included
3.4 Aliphatic hydrocarbons
3.7 Aromatic hydrocarbons
3.8 Biodegradable solvents
3.9 Biorenewable solvents
3.11 Deep eutectic solvents
3.14 Fatty acid methyl esters
3.15 Generally recognized as safe, GRAS, solvents and their precursors
3.16 Glycol ethers
3.21 Ionic liquids
3.26 Polyhydric alcohols
3.29 Supercritical fluids
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, 3 databases, and obtained 3 patents. She specializes in polymer additives for PVC and other polymers and evaluates their effect on health and environment.
George Wypych has a Ph. D. in chemical engineering. His professional expertise includes both university teaching (full professor) and research & development. He has published 14 books: PVC Plastisols, (University Press); Polyvinylchloride Degradation, (Elsevier); Polyvinylchloride Stabilization, (Elsevier); Polymer Modified Textile Materials, (Wiley & Sons); Handbook of Material Weathering, 1st, 2nd, 3rd, and 4th Editions, (ChemTec Publishing); Handbook of Fillers, 1st and 2nd Editions, (ChemTec Publishing); Recycling of PVC, (ChemTec Publishing); Weathering of Plastics. Testing to Mirror Real Life Performance, (Plastics Design Library), Handbook of Solvents, Handbook of Plasticizers, Handbook of Antistatics, Handbook of Antiblocking, Release, and Slip Additives, PVC Degradation & Stabilization, The PVC Formulary (all by ChemTec Publishing), 47 scientific papers, and he has obtained 16 patents. He specializes in polymer additives, polymer processing and formulation, material durability and the development of sealants and coatings. He is included in the Dictionary of International Biography, Who's Who in Plastics and Polymers, Who's Who in Engineering, and was selected International Man of the Year 1996-1997 in recognition for his services to education.