Chesar 2 User manual. Part 1 - Manage substances and CSAs

Transcription

1 Chesar 2 User manual Part 1 - Manage substances and CSAs

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3 Disclaimer The information contained in this manual does not constitute legal advice. The European Chemicals Agency does not accept any liability with regard to the contents of this document. The European Chemicals Agency is entitled to modify or revise the document at any time with or without notice and with or without cause. Chesar 2 User manual Part 1 - Manage substances and CSAs Reference: ECHA-12-G-06-EN Publ.date: 6 March 2013 Language: EN European Chemicals Agency, Cover page European Chemicals Agency Reproduction is authorised provided the source is fully acknowledged in the form Source: European Chemicals Agency, and provided written notification is given to the ECHA Communication Unit (publications@echa.europa.eu). ECHA invites interested parties to submit comments on this document which may be incorporated in future updates. These can be submitted via the Contact ECHA page at: European Chemicals Agency Mailing address: P.O. Box 400, FI Helsinki, Finland Visiting address: Annankatu 18, Helsinki, Finland

4 Document History Version Comment Version /03/2013 Adaptation to Chesar version 2.2 Reordering of information in sections 4.1 and 4.2 Addition of information related to joint CSA (section 8.1) Addition of Annex 2 Small editorial changes Version /10/2012 Clarification on the search functionality (Section 4.2) Version /06/2012, First version

5 Table of Contents 1 INTRODUCTION Aim of the document Purpose of information requirements under REACH KEY PRINCIPLES FROM EXISTING GUIDANCE OVERVIEW OF CHESAR BOX Key terms Main differences with Chesar Window organisation Overview of Box 1 functionalities Main steps SUBSTANCE MANAGEMENT Import a substance into Chesar Import a IUCLID 5 substance Export and Import a Chesar substance Search and select a substance Delete a substance FROM IUCLID 5.4 TO CHESAR Substance identity Substance intrinsic properties in IUCLID Physical-Chemical Properties/Fate Physico-chemical hazard Environmental hazard conclusion Human health hazard conclusion SCOPE OF ASSESSMENT SYNCHRONISATION OF DATA CSA MANAGEMENT Create and Edit a CSA Export a CSA Import a CSA Delete CSA Generic Exposure Scenario (GES) as defined by CEFIC Creation of GES in Chesar format Use of GES in Chesar Table of Tables Table 1: Main steps for use description... 6 Table 2: scope of assessment Environment Table 3: scope of assessment Human health Table 4: Source (IUCLID) and destination (Chesar) fields... 27

6 Table of Figures Figure 1: Main user interface elements for navigation in the Chesar... 4 Figure 2: Collapse /Expend information in right pane... 4 Figure 3: Import substance workflow... 8 Figure 4: Advanced search for substances... 9 Figure 5: Outcome of search... 9 Figure 6: Select a substance for assessment Figure 7: Create new endpoint summary in IUCLID Figure 8: Transfer of information from IUCLID 5.4 to Chesar for log Kow Figure 9: Detailed information (right pane) for physico-chemical properties/fate Figure 10: Phys-chem hazard information Figure 11: PBT assessment endpoint summary in IUCLID Figure 12: Hazard for freshwater organisms in the endpoint summary of section 6 of IUCLID Figure 13: Hazard for workers via inhalation in the endpoint summary of section 7 of IUCLID Figure 14: Scope of assessment for workers Figure 15: Create/edit CSA Figure 16: Import CSA workflow Figure 17: Delete CSA Table of Annexes Annex 1 - Hazard assessment conclusions and scope of assessment Annex 2 IUCLID 5 data fields imported by Chesar... 27

7 Chesar 2 User Manual Part 1 Manage substance 1 1 INTRODUCTION 1.1 Aim of the document The aim of this document is to guide the assessor on how: To manage substances in Chesar database; To import a substance-related dataset (containing the intrinsic properties of the substance) from IUCLID into Chesar, to examine the data and identify relevant data gaps; To obtain an overview on the required scope of exposure assessment and type of risk characterisation based on the hazard assessment conclusions imported from IUCLID; To manage CSAs for a substance. 1.2 Purpose of information requirements under REACH To enable exposure assessment and risk characterisation, the intrinsic properties of a substance need to be systematically characterised. This includes properties: Driving releases from processes and products; Determining the fate and distribution in the environment; Leading to adverse effects on human health and/or in the environment; Leading to explosion, flammability or oxidising hazards. In order to facilitate the identification of appropriate risk management measures and to enable risk characterisation the available knowledge on the substance properties is converted into a hazard characterisation: Conclusions on PBT and vpvb properties potentially triggering measures to minimise releases; Classification and labelling triggering certain risk management strategies; Derivation of no-effect levels below which no adverse effects are to be expected (DNELs and PNECs), providing the threshold for limiting exposure. The IUCLID dossier contains a full documentation of the available information. Selected parts of this documentation are to be reported in chapter 1 to 8 of the Chemical Safety Report (CSR). Chesar imports the information needed for carrying out the exposure assessment and risk characterisation from IUCLID.

8 Chesar 2 User Manual Part 1 Manage substance 2 2 KEY PRINCIPLES FROM EXISTING GUIDANCE REACH requires exposure assessment and risk characterisation only for substances meeting the criteria for being classified as hazardous or which are assessed to be a PBT/vPvB or where certain information requirements have been adapted based on exposure considerations. If none of these three conditions applies, no exposure assessment is needed. Otherwise an exposure assessment is to be carried out addressing all hazards identified. Depending on the type of adverse effect a substance may cause and the corresponding routes of exposure or environmental compartments, the scope of the required exposure assessment under REACH may vary. The outcome of the hazard assessment also determines which type of risk characterisation is required: A quantitative risk characterisation is required when it is possible to compare an exposure concentrations to a dose/ concentration below which no adverse effects are expected; A qualitative risk characterisation is required, when no thresholds can be derived below which no adverse effects are expected.

9 Chesar 2 User Manual Part 1 Manage substance 3 3 OVERVIEW OF CHESAR BOX Key terms The following terms with a particular meaning within Chesar are used within this manual: IUCLID substance: Substance for which a IUCLID substance dataset has been created. Information from the IUCLID substance dataset can be exported from IUCLID in a IUCLID export file (i5z file). Part of the information contained in a IUCLID substance dataset can be imported into Chesar and used as a starting point for assessment. Chesar substance: Chemical substance assessed with Chesar. The data elements associated with a Chesar substance are: A subset of substance intrinsic properties, imported from IUCLID and needed for the assessment; One or several Chesar CSA. Chesar CSA: A CSA (chemical safety assessment) in Chesar consists of use description, exposure assessments and risk characterisations: A life cycle tree (description of uses, see user manual 2) including all the contributing scenarios for the different uses to be assessed; For each contributing scenario: risk characterisations per route of exposure and type of human health effect, and per environmental compartment respectively. These risk characterisations correspond to the conditions of use specified in each of the contributing scenarios (see user manual 4). Scope of assessment: Covers both the scope of exposure assessment (i.e. whether exposure assessment is expected for a route of exposure, type of human health effect and/or environmental compartment) and the type of risk characterisation required: Quantitative risk characterisation: is performed when a DNEL or PNEC is available and a risk characterisation ratio (RCR) can be derived i.e. the ratio between predicted exposure and a predicted effect threshold. Qualitative risk characterisation: is performed when hazards have been identified, but no DNEL/PNEC is available. It consists of a qualitative argumentation that the likelihood and extent of exposure is negligible compared to the level of hazard identified. For PBT substances (or substances assessed as if they were a PBT) a specific qualitative assessment is also performed for the environment. Semi-quantitative risk characterisation: is performed when hazards have been identified but no DNEL/PNEC is available. It consists of a qualitative argumentation which is however supported by a comparison of predicted exposure against a threshold different than a DNEL. 3.2 Main differences with Chesar 1 Chesar 2 only imports datasets from IUCLID 5.4. A number of new data fields have been included into IUCLID 5.4 which impact on Chesar: PBT status, hazard conclusion for eyes (for human health) and for the air. The scope of assessment is now fully triggered by the information available in IUCLID 5.4. No further scoping is possible within Chesar. It is possible to create several CSAs for a given substance and to export/import them for reuse for another substance.

10 Chesar 2 User Manual Part 1 Manage substance 4 When the substance data are modified in IUCLID and re-imported into a Chesar substance (synchronising the Chesar substance data) the information is adapted as necessary in the assessment and risk characterisation. 3.3 Window organisation When logging into Chesar, the application displays systematically a number of information as shown in Figure 1. The upper part of the screen displays: A navigation bar composed of 7 icons which enables the user to navigate within the main different block of functionalities of Chesar, called Box; The login user name; The name of the substance selected for the assessment; The name of the CSA selected; The box-specific tool bar displays the icons related to the main functionalities of the Box 1. Figure 1: Main user interface elements for navigation in the Chesar The window below is divided in two main panes: On the left a number of tabs, describing the functionality or information to be selected; On the right the details corresponding to the selected tab on the left. By default all sections available in the right pane are open (i.e. not collapsed). To improve the readability, you can collapse them, clicking on the titles. The difference between collapsed and expanded sections is shown in Figure 2. Figure 2: Collapse /Expend information in right pane

11 Chesar 2 User Manual Part 1 Manage substance Overview of Box 1 functionalities The main functions of Box 1 are to: Manage all the substances for which an assessment is being carried out or has been carried out with Chesar; Ensure the link with IUCLID 5 and enable the update of substance data imported from IUCLID to be used in Chesar for assessment when these data are modified in IUCLID; Show to the assessor all information related to the properties of the substance needed to carry out the exposure assessment and risk characterisation; Manage CSAs for a single substance, when needed. When selecting the tab Substance management, the assessor accesses the substance management area for searching, importing and selecting the substance he wants to assess. Once a substance is selected the other tabs on the left pane become active. Also the icons of the tool bar enable the user to: Deselect the substance Delete the substance Export the substance In the left part of the screen, the following tabs are available: CSA management: allows users to access the CSA management area (see section 8); Substance identity: displays information on the administrative data of the substance selected imported from IUCLID 5; Phys-chem prop / Fate: displays the values for the physico-chemical and fate properties imported from IUCLID 5; Phys-chem hazard: displays the values of the physico-chemical hazard properties imported from IUCLID 5; Environmental hazard: displays the environmental hazard conclusions imported from IUCLID 5 section 6 as well as the conclusions on the PBT status from IUCLID section 2.3; Human health Hazard: displays the hazard conclusions for human health imported from IUCLID 5 section 7; Scope of assessment: displays the scope of exposure assessment and the type of risk characterisation required, based on the hazard conclusions for the environment and for human health. 3.5 Main steps The following scheme describes the main steps to take when starting to use Chesar. For each step, reference to the user manual sections is provided. In order to provide a simple scheme, only the standard actions are included. Alternatives and case-specific situations are described elsewhere in the user manual.

12 Chesar 2 User Manual Part 1 Manage substance 6 Table 1: Main steps for use description Actions Icon/tab/button/link to be activated Notes Section of user manual 1 1) Import substance in Chesar Import IUCLID or Chesar substance 4.1 Create or select an existing CSA (if needed) 8 Check that the minimum relevant data to perform exposure assessment and risk characterisation is available 2) Inspect substance data Physico-chemical and fate properties: coming from the endpoint summaries available in section 4 and 5 of IUCLID Physico-chemical hazard: coming from the endpoint summaries available in section 4 of IUCLID Environmental hazard conclusions (PNECs): coming from the endpoint summary available in section 6 of IUCLID and PBT in section 2.3 of IUCLID 5.2.3

13 Chesar 2 User Manual Part 1 Manage substance 7 Check the scope of assessment 3) report uses see user manual 2 Human health hazard conclusions (DN(M)ELs): coming from the endpoint summary available in section 7 of IUCLID Based on the information on hazard conclusions uploaded from IUCLID, Chesar describes the type of risk characterisation required

14 Chesar 2 User Manual Part 1 Manage substance 8 4 SUBSTANCE MANAGEMENT 4.1 Import a substance into Chesar Prior to performing any assessment or generating a CSR for a substance, a substance must first be included in the Chesar database.. The import and selection of substance is done when selecting the upper tab Substance Management. On the right pane the Import button is available (see step 1 in the screenshot below). As soon as the Import button is clicked, the Import substance dialogue opens (step 2). To select your file, click the Browse button (step 3). Once the file is found, click the Import button to complete the upload on Chesar 2. Figure 3: Import substance workflow Once the substance is imported, Chesar selects it immediately, as indicated on the top bar. This substance is now ready to be assessed Import a IUCLID 5 substance The first time a substance is assessed in Chesar a number of substance properties have to be imported from IUCLID. In this case a IUCLID 5 (version 5.4 or above) file (.i5z) has to be exported from IUCLID and imported in Chesar. When importing a IUCLID substance dataset (.i5z) all data existing in IUCLID 5 needed by Chesar are automatically uploaded into Chesar, as read-only fields (i.e. not modifiable). For more details on the content of the imported information see section 5 and Annex II. All information related to this substance is displayed in six sections as detailed in section 3.4. Data can be seen by clicking the related tab on the left pane. The detailed information is then displayed on the right pane of the window Export and Import a Chesar substance It is also possible to exchange a Chesar substance among different Chesar instances. A Chesar substance (.chr) can be exported at any point in time. All the information related to that substance, i.e. all CSAs (in case more than one was created) are then exported. A Chesar substance can be re-imported into any Chesar instance. If a Chesar substance is imported in another Chesar instance in which the substance already exists (same IUCLID UUID), the assessor is asked whether he wants to overwrite the substance with the imported one.

15 Chesar 2 User Manual Part 1 Manage substance Search and select a substance If you already have several substances in your Chesar database, to start working on the substance for which you want to carry out the chemical safety assessment, you first have to perform a search. A basic search as well as a more advanced search can be performed. If no text is entered in the text field available before the Search button, all substances are retrieved. Otherwise the string entered in the search field is searched in the: Chemical name Reference substance To perform an advanced search, click on the Advanced search button available on the management of substances pane. A dialogue appears, in which you can enter the identifier(s) of your substance. In Figure 4 the identifier EC number has been chosen. Figure 4: Advanced search for substances Once the Search button is clicked, the results are displayed in the table appearing below, as indicated in Figure 5. Figure 5: Outcome of search The list of substances stored in your Chesar database matching the search criteria is then displayed in a table. By default, the substances appear in the same order as they were uploaded. A number of identifiers are listed in columns:

16 Chesar 2 User Manual Part 1 Manage substance 10 Chemical name Reference substance EC and CAS numbers Legal entity and IUCLID UUID. The list can be sorted alphabetically by any of these identifiers by clicking the header of the appropriate column. Once the substance is found, remember to highlight it with the cursor in the result pane (blue background on it) and click the Select button. Figure 6: Select a substance for assessment Only once the substance is selected, the substance name appears on the upper part of the screen (as indicated in 3.3) and it is ready to be assessed. Only one substance at the time can be assessed. 4.3 Delete a substance At any time, it is possible to delete substances from the Chesar database. Please note that if an assessment has already been carried out, it will be lost once the substance is deleted from the Chesar database. However, it is always possible to export an assessment from Chesar to your own computer using the export functionality as described in section To delete a substance from the Chesar database select the substance in the list and click the Delete button.

17 Chesar 2 User Manual Part 1 Manage substance 11 5 FROM IUCLID 5.4 TO CHESAR The following sections describe how the information imported from IUCLID is displayed in Box 1 of Chesar. 5.1 Substance identity The Substance identity button opens the list of main identifiers of the IUCLID 5 substance: The chemical identity of the substance (EC number, CAS number, Chemical name, IUPAC name and reference substance name); The name of the legal entity owner of the IUCLID 5 substance. The possibility to add the REACH registration number. 5.2 Substance intrinsic properties in IUCLID Information on the substance s intrinsic properties necessary for the chemical safety assessment must be filled-in in the correct sections and fields of IUCLID 5 so that it can then be imported correctly into Chesar and used for the assessment. This mainly concerns: Physico-chemical properties Environmental fate properties Environmental hazard conclusion, including PBT status Human health hazard conclusion The evaluation of all available intrinsic properties data is done outside Chesar. More details on what is imported in Chesar from IUCLID are available in Annex II of this manual. For each individual endpoint (e.g. physico-chemical or fate property but also ecotoxocological or toxicological endpoint), several records (endpoint study records) can be created in IUCLID 5 in order to report the results of one or several studies carried out on the substance for that endpoint (for more information consult IUCLID 5 end user manual). This information is then reported in the CSR (section 1 to 8) generated by the IUCLID CSR plug-in. In case there are several studies available for one endpoint, a single value (e.g. a vapour pressure or DNEL) has to be selected or derived to enable the exposure estimation and risk characterisation in Chesar. Specific sections (so-called endpoint summaries) exist in IUCLID 5 in order to report the outcome of the assessment of the given endpoint. Such information, when relevant for the chemical safety assessment process is imported and used in Chesar. To create a new endpoint summary in IUCLID 5, right-click the endpoint in the IUCLID 5 tree and select New endpoint summary.

18 Chesar 2 User Manual Part 1 Manage substance 12 Figure 7: Create new endpoint summary in IUCLID Only one endpoint summary can be created in IUCLID 5 per endpoint. Endpoint summaries contain two additional fields which enable reporting of selected information for the CSR section 1 ( Short description of key information and Discussion ). These fields are captured by the IUCLID CSR plugin: more information on it is available at Physical-Chemical Properties/Fate For most of the physico-chemical properties that can be reported in IUCLID 5, a Key value for chemical safety assessment identified in the related endpoint summary is imported in Chesar. Some of those properties are directly used by exposure estimation tools (see user manual 3) and some are only displayed for information. The Key value for chemical safety assessment can be a numerical field or a pick-list item. When relevant, the appropriate unit should also be filled-in. See below an example on how Chesar populates the Physical Chem. Prop/ Fate tab using the information from the IUCLID 5 endpoint summary: Figure 8: Transfer of information from IUCLID 5.4 to Chesar for log Kow When clicking the Phys-Chem prop./fate button, on the left hand side of your screen you view both physico-chemical properties and information on fate, as reported in the endpoint summaries of IUCLID sections 4 and 5. These data are automatically extracted

19 Chesar 2 User Manual Part 1 Manage substance 13 from IUCLID 5 into Chesar and displayed in Box 1. This information cannot be modified in Chesar to ensure consistency between the CSR generated by Chesar and the IUCLID file. The available information is grouped on the following tabs: General Biodegradation Bioaccumulation Abiotic degradation Adsorption coefficients Figure 9: Detailed information (right pane) for physico-chemical properties/fate The values of some of these parameters are used as input to plugged-in exposure estimation tools such as ECETOC TRA workers and EUSES 2.1. The column Input parameter for indicates for which exposure estimation tools the data are being used as input data. When the plugged-in tool name appears in square brackets (for example [EUSES 2.1]), it means that the corresponding value is calculated by (Q)SAR within EUSES and thus data import from IUCLID is not necessary to run EUSES. However if the value is available in IUCLID, it will be imported and overwrite the default values estimated by (Q)SAR in EUSES Physico-chemical hazard The physico-chemical hazard of the substance is imported from the relevant endpoint summaries in IUCLID (IUCLID sections 4.11, 4.12, 4.13, 4.14, 4.15)

20 Chesar 2 User Manual Part 1 Manage substance 14 Figure 10: Phys-chem hazard information In order to perform the exposure assessment related to the physico-chemical hazard Chesar offers the following functionality: The generic set of measures applicable for all uses of the substances is described in Chapter 9.0 in the CSR. The information reported in Chapter 9.0 is entered in Box 4 (see user manual 4 section 5.1). Chesar does not enable communication of this information via the exposure scenarios for communication. When needed, specific conditions of use related to physico-chemical hazards can be integrated into the exposure scenarios having been built for toxic and eco-toxic hazards. Thus the registrant is requested to evaluate whether the conditions in the ES controlling toxic risks are compatible with the physico-chemical hazards of the substance. If not the registrant will be able to add a determinant into the exposure scenario describing measures to control risks arising physico-chemical hazards in Box Environmental hazard conclusion The PBT status is imported from IUCLID section 2.3 endpoint summary. The PBT status impact on the way the environmental assessment is carried out (see user manual 3). It will lead to: Assessment of the substance not considered as PBT if the conclusion selected in IUCLID is one of the following: o PBT assessment does not apply e.g. for inorganics o substance is not PBT/vPvB or o further information relevant for the PBT assessment is necessary Assessment of the substance considered to be PBT if the conclusion selected in IUCLID is one of the following o substance is PBT/vPvB or o substance is handled as if it were a PBT/vPvB

21 Chesar 2 User Manual Part 1 Manage substance 15 Figure 11: PBT assessment endpoint summary in IUCLID The information on the Ecotoxicological hazard conclusion for the different protection targets must be reported in the IUCLID 5 endpoint summary 6. Ecotoxicological information (see Figure 12). For each protection target, a conclusion on the hazard is to be reported. It can be a PNEC (most common situation) which should then be reported together with its value and unit. This will be used for quantitative risk characterisation It can also be another qualitative conclusion (pick list item) which will lead to one of the following consequences: o No hazard is identified for that protection target, therefore no exposure assessment is required o A hazard is identified or cannot be excluded and therefore a qualitative risk characterisation will have to be carried out The various hazard conclusions are reported in Appendix 1.

22 Chesar 2 User Manual Part 1 Manage substance 16 Figure 12: Hazard for freshwater organisms in the endpoint summary of section 6 of IUCLID 5 For the environment the hazard conclusions for the various protection targets are closely connected to each other as extrapolation can be made from one protection target to the other (e.g. from water to soil). Other information that are not directly used by Chesar can be reported in the endpoint summary such as the assessment factor to derive the PNEC or the method used or further justification. All this information is reported in section 7 of the CSR and directly captured by the IUCLID CSR plugin more information is available at but is not directly used by Chesar Human health hazard conclusion The information on the hazard conclusion for the different routes and type of effect (local/systemic effect after short/long-term exposure) must be reported in the IUCLID 5 endpoint summary 7. Toxicological information. For each route and type of effect, a conclusion on the hazard is to be reported. It can be a DNEL which should then be reported together with its value and unit. This will be used for quantitative risk characterisation It can be a DMEL or another toxicological threshold which should then be reported together with its value and unit. This will be used for semi-quantitative risk characterisation It can also be another qualitative conclusion (pick list item) which wil lead to one of the following consequence: o No hazard is identified for that route- type of effect, therefore no exposure assessment is required o A hazard is identified or cannot be excluded and therefore a qualitative risk characterisation will have to be carried out The various hazard conclusions are reported in Appendix 1.

23 Chesar 2 User Manual Part 1 Manage substance 17 Figure 13: Hazard for workers via inhalation in the endpoint summary of section 7 of IUCLID 5 Other information can be reported in the endpoint summary such as the explanation on the derivation of the DNEL (e.g. assessment factor and their justification). All this information is reported in section 5.11 of the CSR but is not directly used by Chesar.

24 Chesar 2 User Manual Part 1 Manage substance 18 6 SCOPE OF ASSESSMENT Based on the information on hazard conclusions uploaded from IUCLID, Chesar describes the type of risk characterisation required. When the button Scope of assessment is clicked, the right hand side part of the screen is populated with the related risk characterisation type triggered by the hazard conclusion indicated in IUCLID 5. The various hazard conclusion and their consequences on the type of exposure assessment and risk characterisation required are reported in Appendix 1. The scope of assessment pane is divided as follow: Environment Worker Consumers Man via environment An example of the scope of assessment triggered by the hazard conclusion for a given substance for workers is displayed in Figure 14. Figure 14: Scope of assessment for workers

25 Chesar 2 User Manual Part 1 Manage substance 19 7 SYNCHRONISATION OF DATA In case there is the need to update one or more properties in IUCLID 5 for a substance that has been already assessed in Chesar, it is the assessor s responsibility to re-import the updated data from IUCLID 5 into the Chesar, as described in section Chesar 2 implements a series of synchronisation functionalities that ensure the maximum re-usability of a previously made assessment. The Chesar synchronisation workflow is twofold: It displays the changes that have been made in the IUCLID 5 substance dataset, once the updated substance is re-imported in Chesar; It recalculates (where possible) the existing assessments on the basis of the properties changes. The recalculation of the exposure and / or the RCR depends on the nature of the property changed. In the following paragraphs, the different synchronisation rules are reported. Changes of one or more physico-chemical properties used by ECETOC TRA If the value of any physico-chemical property that is used by TRA Worker / Consumer plugged in exposure estimation tool is updated, all the exposure estimates based on TRA Worker (or Consumer) are recalculated as well as the RCRs. Chesar warns the user with the following message TRA Worker (or Consumer) assessments recalculation. The properties that are used by ECETOC TRA plugged in tools can be seen on the left columns of the phys-chem property tab (molecular weight, physical form of the substance and vapour pressure for non solid substances). Changes of one or more physico-chemical properties used by EUSES 2.1 If the value of any physico-chemical property that is used by EUSES plugged in exposure estimation tool is updated then all the exposure estimates based on EUSES are recalculated as well as the RCR. Chesar warns the user with the following message EUSES assessments recalculation. The properties that are used by EUSES 2.1 plugged in tool can be seen on the left columns of the phys-chem property tab. A special rule applies for EUSES assessments based on SpERC (see user manuals 3 and 6): in case the change of the values of the water solubility and/or vapour pressure properties are outside the ranges specified in the related subsperc, the release estimation method for each release route is changed back to ERC-based and the exposure estimates recalculated. In this case a dedicated message appears to the user. Changes of others physical-chemical property in IUCLID Chesar 2 will display the new information and the users will receive a warning that the property has changed. Change of DN(M)EL value or human health hazard conclusion If the value of any DN(M)EL is modified then the RCR values are recalculated for all relevant assessment: TRA Workers, Measured data, External tool based assessment. In case the human health hazard conclusion of any route- type of effect is modified (i.e. changed from quantitative to qualitative or vice versa) then the risk characterisation is modified (in Box 4) for that route. The assessor will have to manually check all risk characterisation.

26 Chesar 2 User Manual Part 1 Manage substance 20 Change of PNEC value or environmental hazard conclusion If the value of any PNEC is updated then the RCR values are recalculated for every assessment that is relevant for the related compartment (both for EUSES assessment and, if available, for environmental measured data assessment) In case the environmental hazard conclusion changes for any compartment (i.e. changed from quantitative to qualitative or vice versa) then the risk characterisation is modified (in Box 4) for that compartment. The assessor will have to manually check all risk characterisation. Changes of PBT status In case the PBT status changes in IUCLID from PBT to not PBT or vice versa, all exposure estimates are recalculated and the risk characterisation then the risk characterisation is modified (in Box 4). Synchronisation only takes place when a IUCLID 5 substance is re-imported into Chesar. If instead a Chesar substance already existing in the database is re-imported, all existing data are overwritten by the imported one.

27 Chesar 2 User Manual Part 1 Manage substance 21 8 CSA MANAGEMENT Each assessed substance in Chesar should have at least one CSA (Chemical Safety Assessment). Therefore, when starting an assessment, a CSA is automatically created by Chesar. It is called Default CSA. In a standard assessment situation, this default CSA will be sufficient. This CSA is selected by default when selecting a substance. There are no uses associated to a Default CSA when starting the assessment. Beside this CSA created by default, in Chesar 2 it is possible to manage several CSAs. Moreover, thanks to the export/import CSA functionalities, assessors could reuse a full assessed life cycle tree or a part of it developed, e.g. by sector associations, across substances (see for example section 8.5) The list of CSA stored in the Chesar database is displayed in the CSA pane and can be ordered according to the user preferences. When selecting a CSA, it is possible to edit it, delete it and export it. 8.1 Create and Edit a CSA You can create as many CSA as you want for your selected substance. This may be useful for example if you want to develop a joint CSR and your own individual CSR. It may also be useful if you import CSA developed for other substances that you may want to (partly) reuse, by copying and pasting. For creating an additional CSA click the Create button in the CSA management tab. Figure 15: Create/edit CSA You have to enter the name of the CSA and select the status, choosing between Not started, Draft and Final. The Explanation field can be populated for: Internal remark for example on the coverage of the CSA or the source of information Explaining the coverage and applicability of the CSA in case it is going to be exported and used for other substances.

28 Chesar 2 User Manual Part 1 Manage substance 22 Finally, if appropriate, you have to check the Joint CSA box. If this checkbox is ticked, this information will be used by the IUCLID 5 CSR plugin 1 to: mark all uses from Chesar to IUCLID 5 section 3.5 as joint uses generate a joint full CSR (as explained in Chesar user manual 4 section 5.3) When selecting a CSA from the list of all available CSAs, you can also modify the above mentioned fields by clicking on the Edit button. 8.2 Export a CSA Once the CSA is populated with a life cycle tree (see Chesar user manual Box 2) and the assessment has been performed (see Chesar user manual Box 3), the CSA may be exported, to be reused for another substance. To export a CSA, you have to first select it, then click on the Export CSA button. Save the file (extension.chr) on your computer, following the dialogue appearing. It is very important that before exporting a CSA you fill in the Explanation field of the CSA with a description of the content of the CSA. When importing it in a different Chesar substance those explanations will help the assessor identifying whether he selected the right CSA or not. The default name of the file is composed of CSA followed by the name of the CSA followed by the date of the export (yyyymmdd), the export time (hhmmss). The default name is prepared to help you in better understand what you are exporting, however, you may decide to change the default name, as desired. 8.3 Import a CSA The import and selection of CSA is done from the CSA Management. First of all you have to select a substance on which you would like to import a CSA. Once you have your substance selected, you click the Import button (step 1 in the screenshot below). The Import a substance CSA dialogue opens (step 2). To select your file, click the Browse button (step 3) to search among your.chr files available in your computer. Once the file is found, click the Import button (step 4) to complete the upload of your substance. Figure 16: Import CSA workflow A confirmation message informs you on the changes that will be made on the values in the imported CSA. The changes are based on the differences between the substance 1 The IUCLID 5 CSR plugin is available at together with the related user manual.

29 Chesar 2 User Manual Part 1 Manage substance 23 properties of the substance where the CSA has been created and the properties of the substance on which it is imported (as described in section 7). The explanations on the imported CSA are also displayed. When importing a CSA it is not selected by default. You still have to select it. 8.4 Delete CSA It is possible to delete a CSA from a substance. All information available will then be deleted from the Chesar database. In order to delete a CSA from a substance, select the CSA in the list (step 1 in the screenshot below) and click the Delete button (step 2). Confirm your deletion by clicking the Ok button on the confirmation dialogue appearing (step 3). Figure 17: Delete CSA 8.5 Generic Exposure Scenario (GES) as defined by CEFIC Creation of GES in Chesar format The generic exposure scenario (GES) as defined on CEFIC website can be created as a CSA (referring to a virtual substance) in a Chesar format. Such GES-based CSA can be applied by any assessor using Chesar for the assessment of a specific substance. For that purpose a CSA should be created as described in section 8.1. The name and the Explanation on the CSA should be appropriately chosen to reflect the content of the GES. Once the CSA is created, the uses covered by the GES should be described in Box 2 (see user manual 2). For example for GES for workers the current OC/RMM could be reported in the Internal remark field for each use in Box 2, in order to ensure traceability. The exposure assessment has to be created in Box 3 with the appropriate selection of the conditions of use (see user manual 3, TRA worker assessment). Finally, the CSA is to be selected in Box 1 and exported.

30 Chesar 2 User Manual Part 1 Manage substance Use of GES in Chesar You can use a GES created in Chesar format (as a Chesar CSA) by importing it in Box 1 as described in section 8.3. You can start the assessment for your specific substance from the imported GES, modify its name if you want. Alternatively you can copy and paste part of the imported GES in another CSA that you have created in parallel. If the imported GES had been generated with one of the exposure estimation methods plugged into Chesar, the exposure assessment is automatically recalculated for the properties of the specifc substance under assessment. Also the risk characterisation is adapted. GES can also be created and imported as CSA block in Box 2 (see user manual 2)

31 Chesar 2 User Manual Part 1 Manage substance 25 Annex 1 - Hazard assessment conclusions and scope of assessment Correspondence between hazard assessment conclusions indicated in the endpoint summary 6 and 7 of IUCLID 5 (substance properties) and the scope of assessment type triggered in Chesar: Table 2: scope of assessment Environment Environmental Hazard conclusion (IUCLID) Protection target to which this conclusion apply Scope of assessment triggered in Chesar PNEC (Predicted no effect level) All Quantitative No data: aquatic toxicity unlikely No data: testing technically not feasible Freshwater, Marine water and STP All except Air Not needed Qualitative No emission to STP expected STP Qualitative No exposure of sediment expected Freshwater sediments and Marine sediments Not needed No exposure of soil expected Soil Qualitative No or insufficient data available at present Hazards related to composition of atmosphere identified Freshwater sediments and Marine sediments, Soil Air Qualitative - testing proposal Qualitative No potential for bioaccumulation Predators Not needed No potential to cause toxic effects if accumulated (in higher organisms) via the food chain Predators Not needed No hazard identified All Not needed Table 3: scope of assessment Human health Human health hazard conclusion (IUCLID) Route/ type of effect to which this conclusion apply Scope of assessment triggered in Chesar DNEL (Derived No Effect Level) All except Eyes Quantitative DMEL (Derived Minimum Effect Level) Only long term Semi-quantitative Other toxicological threshold All except Eyes Semi-quantitative Low hazard (no threshold derived) All Qualitative

32 Chesar 2 User Manual Part 1 Manage substance 26 Human health hazard conclusion (IUCLID) Route/ type of effect to which this conclusion apply Scope of assessment triggered in Chesar Medium hazard (no threshold derived) All Qualitative High hazard (no threshold derived) All Qualitative Hazard unknown (no further information necessary) All Qualitative No hazard identified All Not needed No DNEL required; short term exposure controlled by conditions for long-term Insufficient data available (information necessary) Insufficient data available: testing proposed (from IUCLID 5.3 migrated file only) Exposure based waiving (from IUCLID 5.3 migrated file only) No-threshold effect and/or no doseresponse information available (IUCLID 5.3 migrated file only) No data available: testing technically not feasible (IUCLID 5.3 migrated file only) Only Dermal acute All except Eyes All (except Eyes as did not exist in IUCLID 5.3) All (except Eyes as did not exist in IUCLID 5.3) All (except Eyes as did not exist in IUCLID 5.3) Not needed Qualitative - testing proposal Qualitative Qualitative Qualitative

33 Chesar 2 User Manual Part 1 Manage substance 27 Annex 2 IUCLID 5 data fields imported by Chesar The following fields are imported from a IUCLID 5 substance dataset / dossier into Chesar Table 4: Source (IUCLID) and destination (Chesar) fields Source IUCLID section 1.1 general information - Chemical name LE assigned to section 1.1 general information RS assigned to section 1.1 general information 2.3 PBT assessment - endpoint summary 4.1 Appearance/physical state/colour Endpoint summary 4.2 Melting point/freezing point Endpoint summary 4.3 Boiling point Endpoint summary 4.4 Density Endpoint summary 4.6 Vapour pressure Endpoint summary 4.7 Partition coefficient Endpoint summary 4.8 Water solubility Endpoint summary 4.9 Solubility in organic solvents / fat solubility Endpoint summary Chemical name Legal entity name Reference substance EC number CAS number IUPAC name Molecular weight PBT Physical form Melting point Boiling point Relative density Vapour pressure Destination field in Chesar Partition coefficient (Log Kow) Water solubility Solubility in standard fat Exposure estimation tool using the property ([] optional input property) EUSES, TRA Workers TRA Workers [EUSES] EUSES, TRA Workers EUSES EUSES

34 Chesar 2 User Manual Part 1 Manage substance 28 Source IUCLID section 4.9 Solubility in organic solvents / fat solubility Endpoint summary 4.10 Surface tension Endpoint summary 4.11 Flash point Endpoint summary 4.12 Auto flammability Endpoint summary 4.13 Flammability Endpoint summary 4.14 Explosiveness Endpoint summary 4.15 Oxidising properties Endpoint summary 4.16 Oxidation reduction potential Endpoint summary 4.21 Dissociation constant Endpoint summary 4.22 Viscosity Endpoint summary Henry s Law constant Endpoint summary Biodegradation in water: screening tests Endpoint summary Biodegradation in water and sediment: simulation tests Endpoint summary Destination field in Chesar Solubility in organic solvents Surface tension Flash point at Pa Autoflammability/Self-ignition temperature Flammability Explosiveness Oxidising properties Oxidation Reduction Potential Dissociation Constant Viscosity Henry s Law Constant Biodegradation in Water: screening tests Half-life in Water Half-life in Sediment Exposure estimation tool using the property ([] optional input property) [EUSES] EUSES [EUSES] [EUSES] Bioaccumulation: aquatic / sediment Endpoint summary Half-life in Soil Bioaccumulation: BCF (aquatic species) [EUSES] [EUSES]

35 Chesar 2 User Manual Part 1 Manage substance 29 Source IUCLID section Bioaccumulation: terrestrial Endpoint summary Phototransformation in air Endpoint summary Hydrolysis Endpoint summary Phototransformation in water Endpoint summary Phototransformation in soil Endpoint summary Adsorption / desorption Endpoint summary Destination field in Chesar Bioaccumulation: BCF (terrestrial species) Degradation Rate Constant with OH radicals Half-life in air Half-life in Hydrolysis Half-life in Water (photolysis) Half-life in Soil (phototransformation) Adsorption/Desorption: Koc Log Kp (soil-water) Exposure estimation tool using the property ([] optional input property) [EUSES] [EUSES] [EUSES] [EUSES] Log Kp (solids-water in soil) [EUSES] Log Kp (solids-water in sediment) [EUSES] Log Kp (solids-water in suspended matter) Log Kp (solids-water in raw sewage sludge) [EUSES] [EUSES] Log Kp (solids-water in settled sewage sludge) [EUSES] Log Kp (solids-water in activated sewage sludge) Log Kp (solids-water in effluent sewage sludge) Log Kp (suspended matter-water) [EUSES] [EUSES] Log Kp (sediment-water) 6 Ecotoxicological Information Endpoint summary Hazard for aquatic organisms / Freshwater

36 Chesar 2 User Manual Part 1 Manage substance 30 Source IUCLID section Destination field in Chesar Hazard for aquatic organisms / Marine water Hazard for aquatic organisms / Sewage treatment plant (STP) Hazard for aquatic organisms / Sediment (freshwater) Hazard for aquatic organisms / Sediment (marine water) Hazard for air / Air Hazard for terrestrial organisms / Soil Exposure estimation tool using the property ([] optional input property) Hazard for predators / Secondary poisoning 7 Toxicological information Endpoint summary Workers / Inhalation / systemic / long-term exposure DN(M)EL Workers / Inhalation / systemic / acute shortterm exposure DN(M)EL Workers / Inhalation / local / long-term exposure DN(M)EL Workers / Inhalation / local / acute short-term exposure DN(M)EL Workers / Inhalation / local / acute short-term exposure DN(M)EL Workers / Dermal / systemic / long-term exposure DN(M)EL Workers / Dermal / systemic / acute shortterm exposure DN(M)EL Workers / Dermal / local / long-term exposure DN(M)EL Workers / Dermal / local / acute short-term exposure DN(M)EL Workers / Eyes / local effect Consumers / Inhalation / systemic / long-term exposure DN(M)EL Consumers / Inhalation / systemic / acute short-term exposure DN(M)EL

37 Chesar 2 User Manual Part 1 Manage substance 31 Source IUCLID section Destination field in Chesar Consumers / Inhalation / local / long-term exposure DN(M)EL Consumers / Inhalation / local / acute shortterm exposure DN(M)EL Consumers / Dermal / systemic / long-term exposure DN(M)EL Consumers / Dermal / systemic / acute shortterm exposure DN(M)EL Consumers / Dermal / local / long-term exposure DN(M)EL Consumers / Dermal / local / acute short-term exposure DN(M)EL Consumers / Oral /systemic effects long-term exposure DN(M)EL Consumers / Oral /systemic effects / acute short-term exposure DN(M)EL Consumers / Eyes / local effect Exposure estimation tool using the property ([] optional input property)

38 Chesar 2 User Manual Part 1 Manage substance 32 EUROPEAN CHEMICALS AGENCY ANNANKATU 18, P.O. BOX 400, FI HELSINKI, FINLAND ECHA.EUROPA.EU