Searching, Assessment, and Screening system for safer alternative chemicals

Searching, assessment, and screening system for safter alternative chemicals, SAS

    e.g. Benzene, DEHP, 71-43-2, BPA, phthalate

    Naphtha (petroleum), hydrodesul­ furized heavy; Low boiling point hydrogen treated naphtha; [A complex combination of hydro­ carbons obtained from a catalytic hydrodesulfurization process. It consists of hydrocarbons having carbon numbers predominantly in the range of C7 through C12 and boiling in the range of approxi­ mately 90 °C to 230 °C (194 °F to 446 °F).]

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    Risk Level Help

    Chemical Substance Information

    • PubChem CID: 64742-82-1
    • CAS: 64742-82-1
    • EC NO: 265-185-4

    Hazard Assessment Overview Help

    Hazard Sunburst Chart Legend

    Hazard Assessment Summary Table Help CSV format XLSX format
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    Assessment Type Carcinogenicity Mutagenicity Reproductive Toxicity Developmental Toxicity Endocrine Disruption
    Hazard Assessment Level
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    Assessment Type Acute Toxicity Systemic Toxicity - Single Dose Systemic Toxicity - Repeated Dose Neurotoxicity - Single Dose Skin Sensitization Respiratory Sensitization Skin Irritation Eye Irritation
    Hazard Assessment Level
    Insufficient data
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    Assessment Type Acute Aquatic Toxicity Chronic Aquatic Toxicity
    Hazard Assessment Level
    Insufficient data
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    Assessment Type Persistence Bioaccumulation
    Hazard Assessment Level
    Insufficient data
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    Assessment Type Reactivity Flammability
    Hazard Assessment Level
    Insufficient data
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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

    No SMILES structure is available for this chemical; substructure alert calculation cannot be performed.
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    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). Information

    Due to SAS data source limitations, there are currently no directly matched safer alternatives.
    Download: SCIL (CSV) SCIL (XLSX) ZeroPM PFAS (CSV) ZeroPM PFAS (XLSX) SUBSPORT+ case alternatives (CSV) SUBSPORT+ case alternatives (XLSX)
    Name CAS Industrial Use Safety Notes
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    This chemical is not listed in the ZeroPM PFAS alternative assessment database.
    SUBSPORT+ substitution case stories

    Real-world substitution cases involving this chemical, from the SUBSPORT+ case story database (English records).

    Case Role of this chemical Alternative Sector Function Implementation Reason for substitution
    Vegetable oil esters used in cleaning of small parts from metal repair work Substituted
    • Esters based on coconut oil
    		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Manufacture of fabricated metal products, except machinery and equipment Cleaning agent In use — 2001 in Germany other toxic effects physical hazards CMR
    Alternatives for wood varnishes containing solvents Substituted
    • 2-Butoxyethanol (111-76-2)
    • 2-(2-Butoxyethoxy)ethanol (112-34-5)
    		Manufacture of wood and wood products Building and construction work Plating agent Other In use — 2008 in D, S, CH, A CMR skin/respiratory sensitizing
    Sealing compound used in industrial production Substituted Not stated Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Manufacture of fabricated metal products, except machinery and equipment Building and construction work Other Other Full capacity — Denmark CMR skin/respiratory sensitizing ecotoxicity physical hazards
    OECD SAAT alternative case studies

    Full list of OECD SAAT case studies (not filtered by chemical).

    Case Study Name Link Publish Date Publishing Organization Related Products Description

    Contents

    1. Risk Level
    2. Chemical Substance Information
    3. Hazard Assessment Overview
    4. Hazard Assessment Summary Table
    5. Hazard Diagnostic Modules
    6. Safer Alternatives