This guide runs through the differences between Container and Substance records in ChemInventory, and how the system stores information against each type of entry.
ChemInventory has two separate areas where information is stored about your inventory items. The first is for substance identities, which stores data about each unique substance in your inventory, and the second is for containers, which is where your container records are stored, each of which has a link to the applicable substance. Every container in your inventory is linked to a substance.
For example, if you have three bottles of acetone in your laboratory then there would be three separate entries in the containers area (one for each physical bottle), and one entry in the substances area (corresponding to the substance 'Acetone'). Each of the three containers would be linked to the one substance.
identity. Multiple containers can be linked to a single substance.
ChemInventory assigns a range of substance-specific information for a container automatically based on its substance identity. This includes, for example, chemical structure, synonyms and GHS safety information. If your inventory has any substance custom fields , the value shown will be based on the container's substance identity.
Substance identification
When a new container record is created, ChemInventory follows a multi-step process to find the underlying substance identity that should be associated with the new entry. The system uses information you provide as part of this process, which is carried out in the background.
The primary method for substance identification is the CAS registry number, if one has been entered for the container. This number is used to retrieve information from the substances database we maintain for commercially-available chemicals.
If a CAS number has not been supplied, then ChemInventory will attempt to use the Container Name to identify the substance. It may be the case that the system finds a match for a commercially-available compound, even if you don't supply a CAS number, in which case the corresponding CAS number will be assigned to your container automatically.
Creation of new substance identities
If no substance matches are found then ChemInventory will create a new substance identity for your inventory. This will almost always occur for container records you add which are not available commercially (such as in-house made chemicals and intermediates), or if you choose to create items in your database for non-chemical items (such as laboratory consumables).
You can choose to add information to the substance as part of the container creation process, if you wish. Data that you enter will be saved against the substance identity, and will be retained for any other containers you add in future which hold the same substance.
Any information you add to your inventory's substance identities is kept private and is only visible to users in your inventory and inventories you share with . Information is not made available outside your organization.
Data editing & propagation
When modifying information specific to a container record, such as name, container size or barcode, these changes will only apply to that particular container. This is because these data fields are independent of any other container records in your database.
If you modify substance information, on the other hand, such as chemical structures or GHS data, changes are displayed for all other containers in your inventory that are linked to the same substance. This means that you only need to enter information once for a given substance, rather than having to re-enter the same value numerous times for separate containers.
Example
Let's say that you have a 'substance' custom field in your inventory where you record the boiling point for your chemicals. If you were to modify this value for one of your containers of acetone, then this change would be shown for all other acetone containers also. However, if you were to modify the container's barcode instead, then this change would only apply to the specific container record you edited, as a container's 'barcode' is a field that can be set for containers independently of any others.