Searching, Assessment, and Screening system for safer alternative chemicals

Searching, assessment, and screening system for safer alternative chemicals, GreenN (Green Next)

    e.g.

    Water

    Chemical structure of PubChem CID 962

    Risk Level Help

    Chemical Substance Information

    • PubChem CID: 962
    • CAS: 7732-18-5
    • SMILES: O

    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
    for classification
    High
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
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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
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
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    Assessment Type Acute Aquatic Toxicity Chronic Aquatic Toxicity
    Hazard Assessment Level
    Insufficient data
    for classification
    Insufficient data
    for classification
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    Assessment Type Persistence Bioaccumulation
    Hazard Assessment Level
    Very High
    Insufficient data
    for classification
    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 Pattern Endpoint Source Author Journal Reference
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    Physical and Chemical Properties

    Property Value Source
    Boiling Point 100 °C
    As reported: 212 °F at 760 mmHg
    Other sources (2)
    • 99.974 °C — Hazardous Substances Data Bank (HSDB)
    • 100 — DrugBank
    		CAMEO Chemicals
    Melting Point 0 °C
    As reported: 32 °F
    Other sources (2)
    • 0 °C — Human Metabolome Database (HMDB)
    • 0 — DrugBank
    		CAMEO Chemicals
    Vapor Pressure 3.1664 kPa
    As reported: 23.75 [mmHg]
    Other sources (2)
    • 101.325 kPa (VP: 760 mm Hg at 100 °C) — Hazardous Substances Data Bank (HSDB)
    • VP: 611.657 Pa at 273.16 K — Hazardous Substances Data Bank (HSDB)
    		Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    Solubility Completely miscible
    Other sources (3)
    • Water dissolves some amount of virtually every solid or gas with wich it comes in contact. — Hazardous Substances Data Bank (HSDB)
    • Very soluble in ethanol, methanol, acetone — Hazardous Substances Data Bank (HSDB)
    • 55.5 mol/L — Human Metabolome Database (HMDB)
    		DrugBank
    Density 0.995 g·cm⁻³
    As reported: 0.9950 g/cu cm at 25 °C
    Other sources (5)
    • 1 — CAMEO Chemicals
    • Chemical and physical properties[Table#8152] — Hazardous Substances Data Bank (HSDB)
    • Expands on freezing. Temp of max density 3.98 °C. density: 1.000000g/mL at 3.98 °C; 0.917 g/cc at 0 °C (ice); 0.999868 at 0 °C/4 °C (liquid) — Hazardous Substances Data Bank (HSDB)
    • Weight of sea water: approximately 63.93 lb/cu ft at 15 °C; density of sea water: approximately 1.025 g/cu cm at 25 °C — Hazardous Substances Data Bank (HSDB)
    • Ice Properties[Table#8154] — Hazardous Substances Data Bank (HSDB)
    		Hazardous Substances Data Bank (HSDB)
    Partition Coefficient (LogP) -1.38 Human Metabolome Database (HMDB)

    Source: PubChem

    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: 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: 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: 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
    Substitution of toluene and butan-1-ol in inks for the printing of plastic bags Used as alternative
    • Water (7732-18-5)
    • 1-Methoxypropan-2-ol (107-98-2)
    • Ethanol (64-17-5)
    		Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Solvent Other Full capacity — 2007 Spain other toxic effects ecotoxicity physical hazards
    Substitution of isopropanol, 2-methylpropan-1-ol and heptane in the cleaning of printing rolls Used as alternative
    • Ammonia, aqueous solution (1336-21-6)
    • Water (7732-18-5)
    		Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Cleaning agent Full capacity — 2007 Spain other toxic effects ecotoxicity physical hazards
    Substitution of tetrachloroethylene used in dry clean systems by a professional wet clean system for the garment care industry Used as alternative
    • Water (7732-18-5)
    Non-chemical alternative Professional wet cleaning     		Other Friction agent Full capacity — 2003 USA CMR ecotoxicity
    Different ways to phase out halocarbons like dichloromethane in various applications. Used as alternative
    • Ethanol (64-17-5)
    • Water (7732-18-5)
    • Terpenes
    • Nitrogen (7727-37-9)
    • Sodium carbonate (497-19-8)
    • Sodium hydroxide (1310-73-2)
    • 1,2,3-Trimethylbenzene (526-73-8)
    Non-chemical alternative Some of the alternatives proposed in this study are non-chemical. Among the more general solutions are the reduction of unnecessary cleaning and degreasing and sometimes even a total change in production or manufacturing procedures. Other, more specific solutions included cleaning processes using inert gas and the utilization of high performance mixture heads. In paint stripping, general chemical alternatives have been proposed, these include acidic-, or alkaline stripping, pyrolysis and fluidized bed stripping.     		Scientific research and development Building and construction work General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Manufacture of computer, electronic and optical products, electrical equipment Manufacture of fabricated metal products, except machinery and equipment Manufacture of basic metals, including alloys Manufacture of plastics products, including compounding and conversion Manufacture of rubber products Solvent Partial capacity — Sweden CMR physical hazards
    Substitution of a neurotoxic solvent that contained acetates and acetone used in the cleaning of metal parts Substituted
    • Potassium hydroxide (1310-58-3)
    • Tetrasodium pyrophosphate (7722-88-5)
    • n-Propanol (71-23-8)
    • Ethyl acetate (141-78-6)
    		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Solvent In use — 2011 en España neurotoxicant
    Substitution of plastic paints by mineral-based paints in Metro Madrid Used as alternative
    • Barium sulfate (7727-43-7)
    • Quartz (14808-60-7)
    • Water (7732-18-5)
    		Manufacture of bulk, large scale chemicals (including petroleum products) Building and construction work Dye Full capacity — 2007 Spain CMR
    Substitution of plastic paints by mineral-based paints in Metro Madrid Used as alternative
    • Barium sulfate (7727-43-7)
    • Quartz (14808-60-7)
    • Water (7732-18-5)
    		Other Reducing agent Germany CMR
    Aqueous solution combined with ultrafiltration as an alternative to 4-methylpentan-2-one (MIBK) in purification of penicillin. Used as alternative
    • Water (7732-18-5)
    		Manufacture of bulk, large scale chemicals (including petroleum products) Manufacture of fine chemicals Health services Scientific research and development Processing aid Full capacity — 1990 Denmark skin/respiratory sensitizing
    Substitution of perchloroethylene in dry cleaners’ shops by “wet cleaning” systems. Used as alternative
    • Water (7732-18-5)
    • Non ionic surfactants
    • Anionic surfactants
    Non-chemical alternative Wet-cleaning: a water based system.     		Other Cleaning agent Full capacity — 2008 CMR ecotoxicity
    Cleaning of lorry and van drum brakes by heated tap water Used as alternative
    • 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
    The cleaning of car brakes by hot-water low-pressure spray washer Used as alternative
    • 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 Used as alternative
    • 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
    Components cleaning with deionised water Used as alternative
    • Water (7732-18-5)
    		General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Cleaning agent In use — 2004 in Germany other toxic effects
    Pressurised water as alternative to cleaning of rotary screen in the textile sector Used as alternative
    • Water (7732-18-5)
    Non-chemical alternative Pressurised water cleaning machine.     		Manufacture of textiles, leather, fur Cleaning agent Other Full capacity — 2000 CMR skin/respiratory sensitizing
    Substitution of a cleaning agent containing sodium hypochlorate used for disinfection Used as alternative
    • Non ionic surfactants
    • Water (7732-18-5)
    		Building and construction work Other Cleaning agent Full capacity — 2009, Spain skin/respiratory sensitizing ecotoxicity
    Alternatives to Toxic, VOC, Ozone Depleting and Global Warming Energised Electrical Equipment Cleaners Used as alternative
    • Acetone (67-64-1)
    • Soybean oil (8001-22-7)
    • Carbon dioxide (124-38-9)
    • Water (7732-18-5)
    Non-chemical alternative In addition to cleaners based on soy, acetone and water, also technical solutions were evaluated and found to perform well. These include high pressure deionised water and carbon dioxide pellet blasting.     		Scientific research and development Cleaning agent Full capacity CMR skin/respiratory sensitizing ecotoxicity
    Enzymatic processes versus chemical processes in the preparation of 6-aminopenicillanic acid Used as alternative
    • Ammonia, anhydrous (7664-41-7)
    • Water (7732-18-5)
    • Biocatalyst
    Non-chemical alternative Enzymatic processes     		Health services Scientific research and development Other In use CMR neurotoxicant other toxic effects ecotoxicity
    Substitution of a hydrocarbon-based anti-adherent used in industrial welding Used as alternative
    • Oleic acid (112-80-1)
    • Water (7732-18-5)
    		Manufacture of basic metals, including alloys Manufacture of fabricated metal products, except machinery and equipment General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Other Full capacity — 2010, Spain CMR
    Electrochemical activation of saline aqueous solution as source for alternative disinfectant in Moscow hospital Used as alternative
    • Sodium chloride (7647-14-5)
    • Water (7732-18-5)
    		Other Cleaning agent In use — Russia skin/respiratory sensitizing ecotoxicity
    Substitution of naphtha and hexamethylene diisocyanate in polyurethane-based paints Used as alternative
    • Water (7732-18-5)
    Non-chemical alternative Electrostatic coatings     		Manufacture of fabricated metal products, except machinery and equipment General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Building and construction work Other Solvent Full capacity — 2009 in Spain other toxic effects skin/respiratory sensitizing
    Environmental-friendly textile cleaning using wet cleaning or carbon dioxide Used as alternative
    • Water (7732-18-5)
    • Carbon dioxide (124-38-9)
    		Other Other In use CMR
    Phase-out of a brightening agent containing traces of NPEOs Used as alternative
    • Amines, soya alkyl, ethoxylated (61791-24-0)
    • (2-Methoxymethylethoxy)propanol (34590-94-8)
    • Water (7732-18-5)
    		Manufacture of textiles, leather, fur Other In use — Year: 2015, Country: China ecotoxicity other reasons
    Substitution of a chemical based on C6-fluorocarbons with a PFC-free chemical in the manufacture of water-repellent textiles Used as alternative
    • Oxidized Paraffin Wax (68153-22-0)
    • 2-Propenoic acid octadecyl ester (4813-57-4)
    • Water (7732-18-5)
    		Manufacture of textiles, leather, fur Other In use — Year: 2016 ecotoxicity other reasons
    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