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), hydrotreated heavy; Low boiling point hydrogen treated naphtha; [A complex combination of hydro­ carbons obtained by treating a petroleum fraction with hydrogen in the presence of a catalyst. It consists of hydrocarbons having carbon numbers predominantly in the range of C6 through C13 and boiling in the range of approxi­ mately 65 °C to 230 °C (149 °F to 446 °F).]

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    Risk Level Help

    Chemical Substance Information

    • PubChem CID: 64742-48-9
    • CAS: 64742-48-9
    • EC NO: 265-150-3

    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
    Insufficient data
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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
    Lift rails cleaning with vegetable oil esters as an alternative to hydrocarbon solvents Substituted
    • Esters based on coconut oil
    		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Solvent In use — 2003 in Germany other toxic effects physical hazards CMR
    Cleaning of lorry and van drum brakes by heated tap water Substituted
    • Water (7732-18-5)
    		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Other Solvent In use — 2003 in Germany other toxic effects physical hazards CMR
    Cleaning of motorbike repair parts using vegetable oil esters Substituted
    • Fatty acid ester based on coco-oil
    		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Cleaning agent Solvent In use — 2004 in Germany other toxic effects physical hazards CMR
    The cleaning of car brakes by hot-water low-pressure spray washer Substituted
    • Water (7732-18-5)
    Non-chemical alternative Hot-water low-pressure spray washer     		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Cleaning agent In use — 2007 in Germany other toxic effects physical hazards CMR
    Cleaning of wafer frames with brushing machines using tap water Substituted
    • Water (7732-18-5)
    Non-chemical alternative Brushing machine     		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Manufacture of computer, electronic and optical products, electrical equipment Solvent In use — 2005 in Germany other toxic effects physical hazards CMR
    Comparison of surface treatment agents for wood, focusing on chemical hazards Substituted
    • 2-Butoxyethanol (111-76-2)
    • Ethyldiglycol (111-90-0)
    		Manufacture of wood and wood products Building and construction work Plating agent Other In use — 2009 in Netherlands, Germany, Finland, France and other European countries CMR neurotoxicant
    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