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Hazard Diagnostic Modules

The Hazard Diagnostic Module consists of the following four computational chemistry methods. The predicted toxicity alerts are for reference only and should be evaluated together with other available data.

1. Substructure Alerts
2. Similarity Alerts
3. Read-Across
4. Classification Models

Safer Alternatives

Safer alternatives are referenced from current safer chemical databases and software logic, divided into the following three categories:

1. The system compiles industrial uses of chemicals from the US EPA ChemView database and integrates them with the US EPA Safer Chemical Ingredients to create a safer alternatives list for each chemical. Chemicals may have multiple industrial uses, so the system uses an accordion-style display. Click the 'Suggested Safer Alternatives' tab to expand the table. If the use is broad (e.g., 'Commercial use'), the list may include more specific uses (e.g., 'Solvent'). If no information is available, refer to 'By Industrial Use (Full List)' for manual filtering.
2. Categorized by industrial use (full list). This list contains safer chemicals for industrial uses, not necessarily replacements for the chemical on this page. You may filter by industrial use via the search bar at the top right of this tab, e.g., filter by 'Antioxidants'. Source: Safer Chemical Ingredients List
3. Categorized by structural similarity, requiring:
   • Find chemicals with similar functional groups based on structural similarity (Tanimoto coefficient ≥ 0.8), likely having similar functions.
   • Chemicals identified as lower risk by risk assessment, such as level 3, level 4, or insufficient data.
   Practical substitution feasibility still requires domain knowledge and reference to physicochemical properties. For insufficient data (U), it means current hazard and risk assessment information is limited; thus, selection should be cautious and toxicology studies should be reviewed.
4. Based on real-world case studies. Source: OECD SAAT

Based on substructure, the system lists chemicals with risk levels 3 (usable but safer alternatives may be sought), 4 (safer chemicals), or insufficient data (U: not enough data to determine risk level). 說明