A new version of the webchem package is available on CRAN.
Don’t forget to update!
This version adds some new functionality especially useful for ecotoxicologists and fixes some minor bugs.
Thanks to Johannes Ranke for fixing a typo with Alan Wood’s database:
The old function name was
allanwood() - this function is now deprecated and the new one is
If you want to contribute - please help me to improve webchem!
Either by creating a pull request or by raising an issue if you find a bug or some functionality is missing or by any other contribution.
New data sources
You can now query SRC physprop database, which contains names and physical properties for over 41,000 chemicals.
Currently, you can only search for CAS numbers (here for Diuron):
ETOX: Information System Ecotoxicology and Environmental Quality Targets is a nice database which holds information on substances (a lot of synonyms in there), tests and quality targets.
To use it we follow the common workflow: Search ID -> Find data with this ID.
- First we need the ETOX-ID:
With this ID we can query substance information:
Or quality targets:
And (similar to the EPA AQUIRE database) results of toxicity tests:
The PPDB : Pesticides Properties DataBase is another useful data source for ecotoxicologists.
Currently, you can query the PPDB only using a CAS number and the function will definitively some improvements in future.
The output is enormous, so I print here only a small part, e.g. the EU member states where
CAS 330-54-1 (=Diuron) is approved for use.