D.11.2. What information is part of a Reference substance?

The Reference substance contains all information necessary to identify a substance and the composition of the substance. A number of different identifiers are available to specify the chemical identity.

It is possible to specify:

  1. EC inventory information (D.12.1 What is an EC Inventory?) as published in the official Journal:

    1. EC number

    2. CAS number

    3. EC name

    4. Molecular formula

    5. Description

    This information is read-only.

  2. CAS information

    1. CAS number

    2. CAS name

  3. IUPAC name (International Union of Pure and Applied Chemistry)

  4. Synonyms

  5. Description

  6. Related CAS information

  7. Molecular and structural information

    1. Molecular formula

    2. Molecular weight

    3. SMILES notation (Simplified Molecular Input Line Entry System)

    4. InChI formula (IUPAC International Chemical Identifier)

    5. Structural formula

The Reference substance data are always part of the Reference substance inventory.