CHemical RISk calculators (CHRIS) - Total Quantity

Identifier type and identifier - Please select the identifier type and enter the chemical identifier. For example, if the CAS number is known, select CAS from the pull down menu and enter the CAS number in the identifier field. If the CAS number is unknown, CHRIS can identify the molecular structure through the SMILES code, which can be found for many chemicals using PubChem or generated based on the molecular structure using tools such as OSRA. Alternatively, CHRIS can attempt to identify the chemical using a common name for the chemical.

Extracted amount - Enter the mass of the substance extracted from the device.

Amount units - Select the appropriate units for the amount, micrograms (µg) or milligrams (mg).

Matrix - Please select your polymer matrix from the list. If your polymer is not listed below, please select "Other polymer". For polymer mixtures/blends, co-polymers, or composites (e.g. glass fiber reinforced matrices), the component or phase that is worst-case for exposure, i.e. the softest or least glassy (lowest T_g) component can be selected if listed (which, in turn, assumes the entire system is composed of the worst-case component or phase). In these scenarios, a justification should be provided for the choice of worst-case component of the polymer system.

Mass - Enter the mass of the polymer matrix in grams.

Density - Enter the estimated density of the polymer matrix in grams per cubic centimeter. Note that a rough estimate (e.g. +/- 10%) is acceptable.

Glass transition temperature - Enter the T_g of the polymer matrix in degrees Celsius. Note that the extraction temperature must be higher than T_g to use this module.

Device surface area - Enter the solvent-contacting surface area of the component being evaluated in square centimeters.

Duration - Enter the duration of the extraction experiment in hours.

Iterations - Enter the number of iterations (i.e., number of extraction cycles).

Temperature - Enter the temperature of the extraction experiment in degrees Celsius.

Solvent - Select the extraction solvent from the list.

Solvent volume - Enter the volume of solvent used for extraction.

Swelling amount - Enter the weight percent of the extraction solvent in the swollen polymer, accounting for crystallinity, if any (i.e., \( (m_s-m_0)/(m_s-X_c m_0) \times 100 \), where \( m_s \) and \( m_0 \) are the swollen and initial mass, respectively, and \( X_c \) is the crystalline fraction).

Partition coefficient - If known, enter the polymer/solvent partition coefficient of the extractable. If not known, the default worst-case value of 10 can be used for typical device polymers, hydrophobic extractables, and semi- or non-polar extraction solvents.