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

    Hexabromocyclododecane (HBCD)

    Chemical structure of PubChem CID 18529

    Risk Level Help

    Chemical Substance Information

    • PubChem CID: 18529
    • CAS: 3194-55-6
    • EC NO: 247-148-4 [1]221-695-9 [2]
    • SMILES: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br

    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
    High
    High
    High
    High
    High
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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
    Very High
    Medium
    Insufficient data
    for classification
    Medium
    Low
    Insufficient data
    for classification
    High
    High
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    Assessment Type Acute Aquatic Toxicity Chronic Aquatic Toxicity
    Hazard Assessment Level
    Very High
    Very High
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    Assessment Type Persistence Bioaccumulation
    Hazard Assessment Level
    Very High
    Very High
    Assessment Type Reactivity Flammability
    Hazard Assessment Level
    Insufficient data
    for classification
    Insufficient data
    for classification
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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

    Smarts Endpoint Source Author Journal
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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

    Download: CSV format XLSX format
    Name CAS Industrial Use Safety Risk Level Data Source Notes

    Download: CSV format XLSX format
    Name CAS Industrial Use Safety Risk Level Data Source Notes

    Download: CSV format XLSX format
    Name CAS Industrial Use Safety Risk Level Data Source Notes
    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
    A review of different fire retardant technologies from a safe environmental hazard and risk performance. Substituted Non-chemical alternative Many of the alternatives mentioned in the report are non-chemical alternatives. Many of the alternatives are also very broad substance groups and are therefore not mentioned as single substances. Other Other Partial capacity physical hazards ecotoxicity CMR
    Fire resistant composition in particular for energy or telecommunication cables. Substituted
    • Polyethylene, PE (9002-88-4)
    • Polypropylene (9003-07-0)
    • Ethyl-vinyl-acetate, eva (24937-78-8)
    • Polyetherimide (pei) (61128-46-9)
    Non-chemical alternative In the production of the thermoplastic the polymer is mixed with cork in different concentrations, preferably ranging from 10-30% by weight. The cork is used as a fire retardant filler. A second fire retardant filler is then used, preferably one containing phosphorus. Examples of advantageous secondary fire retardants fillers are organic or inorganic phosphates, antimony containing compounds, metallic hydroxides or boron based compounds. The composition should also include at least one kind of additive. Suitable additives are pigments, antioxidants or ultraviolet stabilizers.     		Building and construction work Electricity, steam, gas water supply and sewage treatment Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Scientific research and development Flame retardant Pilot study — France other toxic effects
    Evaluation of halogen-free flame retardants in polypropylene formulations as alternatives to flame retardants containing halogens. Substituted
    • Phosphorus (red) (7723-14-0)
    • Aluminium hydroxide (21645-51-2)
    • Expandable graphite
    • Molybdates
    • Magnesium hydroxide (1309-42-8)
    • Borates
    • Organoclays
    		Building and construction work Electricity, steam, gas water supply and sewage treatment Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Manufacture of textiles, leather, fur Scientific research and development Flame retardant Incandescent agent Luminescent agent Pilot study PBT ecotoxicity
    Different ways to reduce the amount of halogenated flame retardants in electronics. Substituted
    • Titanium (231-142-3)
    • Aluminium
    • Steel
    • Ammonium polyphosphate (68333-79-9)
    Non-chemical alternative Reducing the amounts of PVC-cables by simplifying the internal design of the product and switching to more material efficient connectors.     		Manufacture of computer, electronic and optical products, electrical equipment Flame retardant Full capacity ecotoxicity other toxic effects
    Fire-resistant and flame proof coating for polymeric thermoplastics and thermoset resins. Substituted
    • Ammonium polyphosphate (68333-79-9)
    • Tribetachloroethylphosphate (68411-66-5)
    • Expandable graphite
    • Dipentaerythriol (126-58-9)
    • Tripentaerythritol (78-24-0)
    • Mica, potassium aluminum silicate (12001-26-2)
    • Melamine (108-78-1)
    		Building and construction work Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Flame retardant Pilot study ecotoxicity physical hazards CMR
    Substitution of polystyrene by natural cork in houses insulation. Substituted
    • Cork
    		Building and construction work Insulators Full capacity — 2010 Spain CMR
    Substitution of brominated flame retardants with non-halogenated alternatives using the GreenScreen™ for safer chemicals alternatives assessment tool. Substituted
    • Aluminium hydroxide (21645-51-2)
    • Melamine polyphosphate (218768-84-4)
    • Diethylphosphinic acid aluminium salt (225789-38-8)
    • Boehmite (1318-23-6)
    		Manufacture of computer, electronic and optical products, electrical equipment Scientific research and development Flame retardant Full capacity other reasons
    Animal dolls made without synthetic materials, flame-retardants, allergens or PVC Substituted Non-chemical alternative Using natural, organic materials instead of synthetic materials. Manufacture of textiles, leather, fur Other Other Full capacity CMR vPvB skin/respiratory sensitizing
    An alternative engineering plastic completely free from brominated flame retardants, PVC and plasticizers for electronics. Substituted
    • Polyamide 4t (stanyl fortii) (103945-40-0)
    		Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Flame retardant In use CMR ED
    Alternatives to the use of flame retarded EPS in buildings Substituted
    • Aluminiumphosphat
    Non-chemical alternative Alternative materials: Non-flame retardant EPS Mineral wool (stone and glass) Plastic foams: Polyurethane rigid foams (PUR) and phenolic foams (PIR) Wood fibreboards Cellulose Cork Hemp Aerogel Sheep’s wool Perlite     		Building and construction work Flame retardant Full capacity other toxic effects
    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