Hazard-Assessment-CAS-Lookup

This Python project takes a text file with a list of CAS number for the chemicals in your inventory and scrapes Sigma-Aldrich website to retrieve a compilation of Hazard statements (e.g. H319), Precautionary statements (e.g. P120) and recommendations for Personal Protective Equipment. It outputs (4) HTML files, (1) folder with SDS PDF files and (1) spreadsheet as a result.

Warning

Data may not be exhaustive and/or up-to-date. Do not use this tool as your primary hazard assessement methodoly. Instead, use it to check the results of your existing hazard assessment and identify gaps.

Install

I recommend that you use a Python environment manager such as Anaconda or Miniconda for this project.
Anaconda: https://www.continuum.io/downloads
Miniconda (uses less disk space): http://conda.pydata.org/miniconda.html
You can then clone my environment into your conda install. That will satisfy the dependencies listed below and get you ready in no time.
Tutorial at: http://conda.pydata.org/docs/using/envs.html#use-environment-from-file
Command:

conda env create -f CASlookup.yml

Dependencies (version tested)

python (3.5.1)
pandas (0.18.1)
numpy (1.11.0)
scipy (0.17.1)
beautifulsoup4 (4.4.1)
xlsxwriter (0.9.2)
setuptools (23.0.0)
python-dateutil (2.5.3)
pytz (2016.4)
selenium (2.53.6)
cssselect (0.9.2)
mkl (11.3.3)
six (1.10.0)
vs2008_runtime (9.00.30729.1)
vs2015_runtime (14.0.25123)

Input

CAS-list.txt : required user editable, (1) CAS number per line, nothing else, empty line ok
H2P.txt : required, refrain from editing, may break the code
P-statements.txt : required, refrain from editing, may break the code
H-statements.txt : required, refrain from editing, may break the code

Output

Hazards.html : sorted list of unique H-statements found for the CAS numbers in your list
Precautions.html : sorted list of unique P-statements found for the CAS numbers in your list
PPE.html : sorted list of unique PPE recommendations found for the CAS numbers in your list
Inventory.html : sorted list of chemicals and properties found for the CAS numbers in your list
Hazard Assessment.xlsx : all data, no formatting
SDS folder : all SDS found on Sigma-Aldrich website and downloaded as PDF files for the CAS numbers in your list

Usage

1 - Customize the CAS list text file
2 - Activate CASlookup environment in Conda

activate CASlookup  

3 - Run

python hazard_assessment_cas_lookup.py

4 - Browse the output files