IUCLID 5 End User Manual

Table of Contents

A. Introduction

A.1. Objective

A.2. How to use this guidance document

A.2.1. Structure of this manual

A.2.2. Conventions used in this manual

A.3. Online Help

A.4. Advanced support options

A.4.1. Other technical manuals

A.4.2. Download site on the web

A.4.3. IUCLID 5 help desk

B. IUCLID 5 - Purpose and General Structure

B.1. Background and history of IUCLID

B.2. Purpose of IUCLID 5

B.2.1. Data collection and evaluation in the context of REACH

B.2.2. Data collection and evaluation for other legislations and chemical programmes

B.3. Basic information on the IUCLID 5 software

B.4. Type of information manageable with IUCLID 5

B.4.1. Company-/organisation-related information

B.4.2. Substance-related information

B.4.3. Assessment reports

B.5. Structure of IUCLID 5

B.5.1. Principles of layered data system used in IUCLID 5

B.5.2. Architecture of the system: an overview

B.5.3. Data security and integrity

B.5.4. Reports

C. Getting started - Sample session for beginners

C.1. Introduction to sample session

C.2. Starting IUCLID 5: First steps wizard

C.3. Creating a dataset for a Substance and assigning a Reference substance

C.4. Completing a Substance dataset

C.4.1. Entering/editing data in sections 1 to 3

C.4.2. Entering/editing data in sections 4 to 13

C.5. Printing the Substance dataset

C.6. Creating a Dossier

C.7. Exporting the Substance dataset

C.8. Importing the Substance dataset

C.9. Making annotations

C.9.1. Annotating raw data

C.9.2. Annotating a Dossier

C.10. Logging out

D. IUCLID Features and How-to Guides

D.1. Help Assistant: Guides to finding appropriate information and instructions

D.2. Task panel (main programme window)

D.3. Main menu and toolbar

D.4. Substance (Create and update substance related information)

D.4.1. What is a Substance dataset?

D.4.2. Feature "Substance - New": How to create a Substance dataset

D.4.3. Feature "Substance - Update": How to update (edit) a Substance dataset

D.4.4. Overview of edit symbols

D.4.5. What data types are available for input and how are they used?

D.4.6. How to manage sections 0 - 3

D.4.7. How to manage Endpoint study records in sections 4 - 13

D.4.8. How to manage Endpoint summary records in section 4-10

D.4.9. How to use the Information window

D.4.10. Creating a copy of a Substance dataset

D.4.11. Printing a Substance dataset

D.4.12. Exporting a Substance dataset

D.4.13. Importing a Substance dataset

D.4.14. Deleting a Substance dataset

D.5. Template (Create and update Template related information)

D.5.1. What is a Template dataset?

D.5.2. Creating "Copy" or "Inherit" Template datasets

D.5.3. Populating a Template with data to be copied or inherited to Substance dataset(s)

D.5.4. Basing a Substance dataset on an "Inherit" Template

D.5.5. Copying endpoint data from a Template into a Substance dataset

D.5.6. Annotating a Template

D.5.7. Printing a Template

D.5.8. Exporting a Template

D.5.9. Importing a Template

D.5.10. Changing / deleting associations to Templates

D.6. Category (Create and update Category related information)

D.6.1. What is a chemical category?

D.6.2. How to build a Category using IUCLID

D.6.3. Creating a matrix of data availability

D.6.4. Annotating a Category

D.6.5. Creating a dossier for a Category

D.6.6. Printing a Category

D.6.7. Exporting a Category

D.6.8. Importing a Category

D.6.9. Changing / deleting a Category

D.7. Mixture (Create and update Mixture related information)

D.7.1. What is a mixture / preparation?

D.7.2. Creating and populating a Mixture dataset

D.7.3. Assigning related Substance(s) to a Mixture

D.7.4. Using "Copy" or "Inherit" Template for a Mixture

D.7.5. Annotating a Mixture

D.7.6. Printing a Mixture

D.7.7. Exporting a Mixture

D.7.8. Importing a Mixture

D.7.9. Changing / deleting a Mixture

D.8. Dossier (Create Dossier and view Dossier data)

D.8.1. What is a Dossier?

D.8.2. Creating Dossiers

D.8.3. Copying Dossier data

D.8.4. Annotating a Dossier

D.8.5. Viewing Dossiers

D.8.6. Comparing Dossiers

D.8.7. Printing a Dossier

D.8.8. Exporting a Dossier

D.8.9. Importing a Dossier

D.8.10. Deleting a Dossier

D.9. Legal entity (Create and update company-/organisation-related information)

D.9.1. What is a Legal entity?

D.9.2. Feature "Legal entity": How to create a Legal entity

D.9.3. Feature "Legal entity - Update": How to update (edit) a Legal entity

D.9.4. Linking a Legal entity to a Substance, Mixture, Category, Template or Legal entity site

D.9.5. Active trade partner: assigning/de-assigning

D.9.6. Printing a Legal entity

D.9.7. Exporting a Legal entity

D.9.8. Importing a Legal entity

D.9.9. Deleting a Legal entity

D.10. Legal entity sites (Create and update Legal entity sites)

D.10.1. What is a Legal entity site?

D.10.2. Feature "Legal entity sites - New": How to create a Legal entity site

D.10.3. Feature "Legal entity sites - Update": How to update (edit) a Legal entity site

D.10.4. Linking a Legal entity site to a Substance/Mixture dataset

D.10.5. Printing a Legal entity site

D.10.6. Exporting Legal entity site

D.10.7. Importing a Legal entity site

D.10.8. Deleting a Legal entity site

D.11. Reference substance (Create and update Reference substance-related information)

D.11.1. Reference substance inventory

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

D.11.3. Feature "Reference substance - New": How to create a Reference substance

D.11.4. Feature "Reference substance - Update": How to update (edit) a Reference substance

D.11.5. Linking a Reference substance to a Substance or Mixture dataset

D.11.6. Active Reference substance: assigning/de-assigning

D.11.7. Printing a Reference substance

D.11.8. Exporting a Reference substance

D.11.9. Importing a Reference substance

D.11.10. Deleting a Reference substance

D.12. Inventory (View EC Inventory related information)

D.12.1. What is an EC Inventory?

D.12.2. Feature "Inventory - View": How to view the EC Inventory

D.12.3. Feature "Inventory - Import": How to import the EC Inventory

D.13. Literature references (View Literature references inventory related information)

D.13.1. What is a Literature references inventory?

D.13.2. Feature "Literature references - View": How to view, search, edit references in the Literature references inventory

D.14. Import (Import data from other IUCLID 5 systems)

D.14.1. What is a data import?

D.14.2. Importing a Substance, Template, Mixture or Category

D.14.3. Importing Endpoint study or summary records

D.14.4. Importing single Endpoint records using the clipboard manager

D.14.5. Importing Legal entity records

D.14.6. Importing Legal entity sites

D.14.7. Importing Reference substances

D.14.8. Importing Dossiers

D.14.9. Importing Annotations

D.14.10. Bulk import feature

D.15. Query and Search

D.15.1. Principles

D.15.2. Querying for Substance

D.15.3. Querying for Reference substance

D.15.4. Querying for Legal entity

D.15.5. Querying for Legal entity site

D.15.6. Querying for Template

D.15.7. Querying for Mixture

D.15.8. Querying for Category

D.15.9. Querying for Dossier

D.15.10. Find documents by UUID

D.16. Manage Users, Role, Preferences etc.

D.16.1. Principles of administration tools for user settings

D.16.2. Feature "User Management": How to create a new User

D.16.3. Feature "Role Management": How to set a Role (privilege settings)

D.16.4. Feature "Set password"

D.16.5. Feature "User preferences": How to set User preferences

D.17. Migration (Migrate IUCLID 4 data to IUCLID 5)

D.17.1. Principles of migration tool and process

D.17.2. Preparing for data migration

D.17.3. Executing data migration

D.17.4. Post-processing - Clean-up after migration

D.18. Back up and Restore

D.18.1. Principles and difference compared to Import/Export feature

D.18.2. Backing up data

D.18.3. Restoring backed up data

D.19. Plugins

D.20. Preparing Server Shut-Down

E. Specific Guidance on Content of IUCLID Sections

E.1. [1] General Information

E.1.1. Identification

E.1.2. Composition

E.1.3. Identifiers

E.1.4. Analytical information

E.1.5. Joint submission

E.1.6. Sponsors

E.1.7. Suppliers

E.1.8. Recipients

E.1.9. Product and process oriented research and development

E.2. [2] Classification and Labelling

E.2.1. GHS

E.2.2. DSD-DPD

E.3. [3] Manufacture, Use and Exposure

E.3.1. Technological process

E.3.2. Estimated quantity

E.3.3. Sites

E.3.4. Form in the supply chain

E.3.5. Identified uses and exposure scenarios

E.3.6. Uses advised against

E.3.7. Waste from production and use

E.3.8. Exposure estimates

E.3.9. Biocidal information substance

E.3.10. Application for authorisation of uses

E.4. [4] Physical and chemical properties

E.4.1. Endpoint summary record

E.4.2. [4.1] Appearance/physical state/colour

E.4.3. [4.2] Melting point/freezing point

E.4.4. [4.3] Boiling point

E.4.5. [4.4] Density

E.4.6. [4.5] Particle size distribution (Granulometry)

E.4.7. [4.6] Vapour pressure

E.4.8. [4.7] Partition coefficient

E.4.9. [4.8] Water solubility

E.4.10. [4.9] Solubility in organic solvents / fat solubility

E.4.11. [4.10] Surface tension

E.4.12. [4.11] Flash point

E.4.13. [4.12] Auto flammability

E.4.14. [4.13] Flammability

E.4.15. [4.14] Explosiveness

E.4.16. [4.15] Oxidising properties

E.4.17. [4.16] Oxidation reduction potential

E.4.18. [4.17] Stability in organic solvents and identity of relevant degradation products

E.4.19. [4.18] Storage stability and reactivity towards container material

E.4.20. [4.19] Stability: thermal, sunlight, metals

E.4.21. [4.20] pH

E.4.22. [4.21] Dissociation constant

E.4.23. [4.22] Viscosity

E.4.24. [4.23] Additional physico-chemical information

E.5. [5] Environmental fate and pathways

E.5.1. Endpoint summary record

E.5.2. [5.1] Stability

E.5.3. [5.2] Biodegradation

E.5.4. [5.3] Bioaccumulation

E.5.5. [5.4] Transport and distribution

E.5.6. [5.5] Environmental data

E.5.7. [5.6] Additional information on environmental fate and behaviour

E.6. [6] Ecotoxicological Information

E.6.1. Endpoint summary record

E.6.2. [6.1] Aquatic toxicity

E.6.3. [6.2] Sediment toxicity

E.6.4. [6.3] Terrestrial toxicity

E.6.5. [6.4] Biological effects monitoring

E.6.6. [6.5] Biotransformation and kinetics

E.6.7. [6.6] Additional ecotoxicological information

E.7. [7] Toxicological information

E.7.1. Endpoint summary record

E.7.2. [7.1] Toxicokinetics, metabolism and distribution

E.7.3. [7.2] Acute Toxicity

E.7.4. [7.3] Irritation / corrosion

E.7.5. [7.4] Sensitisation

E.7.6. [7.5] Repeated dose toxicity

E.7.7. [7.6] Genetic toxicity

E.7.8. [7.7] Carcinogenicity

E.7.9. [7.8] Toxicity to reproduction

E.7.10. [7.9] Specific investigations

E.7.11. [7.10] Exposure related observations in humans

E.7.12. [7.11] Toxic effects on livestock and pets

E.7.13. [7.12] Additional toxicological information

E.8. [8] Analytical methods

E.8.1. Endpoint study record

E.9. [9] Residues in food and feedingstuffs

E.9.1. Endpoint summary record

E.9.2. [9.1] Preliminary: Metabolism in livestock and crops

E.9.3. [9.2] Preliminary: Residues in livestock and crops

E.9.4. [9.3] Migration of residues into and their behaviour on food or feedingstuffs

E.9.5. [9.4] Expected exposure and proposed acceptable residues

E.9.6. [9.5] Additional information on residues in food and feedingstuffs

E.10. [10] Effectiveness against target organisms

E.10.1. Endpoint summary record

E.10.2. [10.1] Effectiveness against target organisms and intended uses - general information

E.10.3. [10.2] Efficacy data

E.11. [11] Guidance on safe use

E.11.1. Endpoint study record

E.12. [12] Literature search

E.13. [13] Assessment Reports

F. A Guide to Where to Enter Data Requirements in IUCLID 5

F.1. EU REACH Regulation

F.2. EU Biocidal Products Directive

F.2.1. EU BPD - Active substance

F.2.2. EU BPD - Biocidal product

F.3. OECD HPVC Programme

F.4. Other

G. Handling extraordinary error situations

G.1. The exception dialogue

Glossary