Consolidated Pesticide Information Dataset (CPI)
This dataset lists approximately 1,700 pesticide names, chemical names, identification numbers, and pesticide use classes (insecticide, herbicide, fungicide, etc.) and their chirality in the familiar format of a spreadsheet.
Where did the pesticide data come from?
The data have been consolidated since 2006 from multiple publications, databases, and websites into a single dataset. The two main sources, Alan Wood’s Pesticide Compendium website (1) and the British Crop Production Council’s Pesticide Manual (2), were key in that they provided approximately1,700 pesticide entries for the dataset. The Chemical Abstract Services (CAS®), ChemSpider (3), and ChirBase (4) databases were important in the initial generation and quality assurance for this information. These and other Internet resources provided structural confirmation. The entries were limited to those available prior to December 2008. The Pesticide Compendium website lists newer pesticides by date.
What does the pesticide dataset contain?
The dataset identifies the chirality of each pesticide and descriptive information such as alternate names, CAS Registry numbers, and pesticide use class. One key feature is that the pesticide structures and structural codes also are contained in the dataset so that you can see or draw the structure. In addition, information on enantiomer separation methods is included. See full information on the fields in the dataset and their meanings. Each row contains information about a single pesticide. Duplications or entries with minor differences were combined into a single entry.
Where can I find more information?
The article, Ulrich, E. M.; Morrison, C. N.; Goldsmith, M. R.; Foreman, W. T., Chiral Pesticides: Identification, description, and environmental implication. Reviews of Environmental Contamination and Toxicology 2012, 217, 1-74, contains complete details on 482 chiral pesticides and the dataset.
You may also contact author Elin Ulrich for more information.
How can I download the dataset?
The complete dataset is available for read-only viewing in spreadsheet format to allow sorting, searching, and counting. Data are divided into three tabs: all pesticides; chiral pesticides; and achiral pesticides. The file also contains this user information and descriptions of each column. The file can be saved as a local copy for research purposes.
- Wood, A. Compendium of Pesticide Common Names. http://www.alanwood.net/pesticides/ (12/31/08),
- Mann, P. J. The e-Pesticide Manual, 4.0; British Crop Production Council: 2006.
- Royal Society of Chemistry ChemSpider - Database of chemical structures and property predictions. http://www.chemspider.com/
- Advanced Chemistry Development, Inc. ChirBase (LC/GC/CE), 12.01; Toronto, Canada, 1997–2010.
What fields and data are in the dataset?
|Name||Common name of the pesticide as listed in at least one of the two primary sources. (1, 2)|
|Chiral?||Details on whether the pesticide is chiral. Notes may give more details about the chiral element.||Y
|Stereoctrs||Counts how many stereocenters are in the pesticide. Multiple structures may include information for each. In some cases, an exact count is not possible because the structure is unknown or a mixture.||Ranges 0 to 20||0 = achiral|
|LC, GC, CE Chirbase||Contains the number of entries found in ChirBase (4) for a given pesticide name for each separation type [liquid (LC) and gas chromatography (GC), capillary electrophoresis (CE)]. All records containing the pesticide name are possible methods.||No entry
|No records found
Number of records in ChirBase
|Chirbase total||Sums the LC, GC, and CE entries.|
|PM#||Entry number in the Pesticide Manual (2) for each pesticide.||No entry
|Not in Pesticide Manual
|Compdm?||Does the Compendium of Pesticide Common Names website list this pesticide (1)?||No entry
|Not in Compendium as of 3/12
Pesticide listed in Compendium
|Alternate names||Other names for the pesticide.||A dash before/after an entry means to add it to the end/ beginning of the pesticide name.|
|salts, ester||Salt/ester formulations of the pesticide.||A dash before/after an entry means to add it to the end/ beginning of the pesticide name.|
|CAS #s||Lists Chemical Abstracts Service Registry Numbers related to the pesticide. Different CAS numbers may be due to stereochemistry, salts, esters, and/or multiple chemicals.|
|Type?||Describes the general type of pesticide.||Organic
|Chemical including carbon
Chemical (generally) without carbon
|Pesticide type 1-3||Describes the use(s)/classification of the pesticide. Type 1 gives the primary use. EPA’s definitions of pesticide categories.||Acaricide
Juv. hormone mimic
Plant growth reg
Enhances pesticide performance
Kills/evacuates parasitic worms
Inhibits normal feeding behavior
Irritates to incr activity/exposure
Bacteria, fungus, virus, or parasite to kill a specific pest
Keeps birds away
Helps plants grow
Kills unwanted plants/weeds
Incr. effective time of herbicide
Red. effect of herbicide on crops
Incr. effectiveness of herbicide
Attracts bugs to poisoned bait
Influences other bug’s behavior
Keeps bugs away
Incr. effectiveness of insecticide
Acts as natural hormone to disrupt life cycle
Keeps mammals away
Reduces mating success
Kills mollusks (slugs, snails)
Kills nematodes (roundworms)
Stops nitrification process
Other action not listed
Incr. plant’s natural defenses
Disrupts plant growth cycle
Stops all plant/animal growth
Heals plant cuts/bark injury
|2-D Structure||Picture file of the chemical structure. To see the structure, mouse over this cell.|
|SMILES||Simplified Molecular Input Line Entry Specification or SMILES codes for the pesticide. The text string in this field will convert to a chemical structure by websites and several structure drawing software packages (e.g., ChemSketch).|
|InChI||IUPAC International Chemical Identifier or InChI codes for the pesticide. The text string in this field is searchable at websites (e.g., ChemSpider) and recognizable by several structure drawing software packages (e.g., ChemSketch).|