A dataset containing information on 71,453 chemical compounds. Contains the following variables:

• chemical name
• CAS number
• EINECS number
• FEMA number
• synonyms for chemical name
• molecular formula
• molecular weight
• molecular weight of second component (for binary mixtures)
• density
• melting point
• boiling point
• refractive index
• flash point
• water solubility
• EU classification
• R-phrases (EU risk codes)
• S-phrases (EU safety description)
• transport information

Future additions

• other identifiers (IUPAC Standard InChI and InChI key, PubChem CID, MeSH, KEGG, UN number, EC number, UNII, Chemspider ID, RTECS number, Beilstein Reference, etc.)
• links to articles on various websites (NIST Chemistry WebBook, PubChem, ChemSpider, Wikipedia)
• chemical properties such as viscosity, dipole moment, acidity, vapor pressure, logP