Searching, Assessment, and Screening system for safer alternative chemicals

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

    e.g.

    1,2-Propanediol

    Chemical structure of PubChem CID 1030

    Risk Level Help

    Chemical Substance Information

    • PubChem CID: 1030
    • CAS: 57-55-6
    • Safety Data Sheet: Link
    • SMILES: CC(CO)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
    Low
    Low
    Low
    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
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Medium
    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
    Insufficient data
    for classification
    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 188.222 °C
    As reported: 370.8 °F at 760 mmHg (NTP, 1992)
    Other sources (4)
    • 187.6 °C — Hazardous Substances Data Bank (HSDB)
    • 188.2 °C — ILO-WHO International Chemical Safety Cards (ICSCs)
    • 188.222 °C (370.8 °F) — Occupational Safety and Health Administration (OSHA)
    • 187.6 °C (187.6 °C @760 [mm Hg]) — PAC Chemical Database, U.S. Department of Energy
    		CAMEO Chemicals
    Melting Point -60 °C
    As reported: -76 °F (NTP, 1992)
    Other sources (3)
    • -59 °C — ILO-WHO International Chemical Safety Cards (ICSCs)
    • -60 °C (-76 °F) — Occupational Safety and Health Administration (OSHA)
    • -60 °C — PAC Chemical Database, U.S. Department of Energy
    		CAMEO Chemicals
    Flash Point 98.8889 °C
    As reported: 210 °F (NTP, 1992)
    Other sources (6)
    • 99 °C — Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    • 104 °C (104 °C Pensky-Martens closed cup) — Hazardous Substances Data Bank (HSDB)
    • 99 °C (210 °F (99 °C) (Closed cup)) — Hazardous Substances Data Bank (HSDB)
    • 107.222 °C (225 °F (Open cup)) — Hazardous Substances Data Bank (HSDB)
    • 101 °C (101 °C c.c.) — ILO-WHO International Chemical Safety Cards (ICSCs)
    • 98.8889 °C (210 °F) — Occupational Safety and Health Administration (OSHA)
    		CAMEO Chemicals
    Vapor Pressure 0.0173319 kPa
    As reported: 0.13 [mmHg]
    Other sources (4)
    • 0.0173319 kPa (0.13 mm Hg at 25 °C /Extrapolated/) — Hazardous Substances Data Bank (HSDB)
    • 0.0106658 kPa (0.08 mmHg) — Occupational Safety and Health Administration (OSHA)
    • 0.08 mmHg at 68 °F ; 0.13 mmHg at 77 °F (NTP, 1992) — CAMEO Chemicals
    • Vapor pressure, Pa at 20 °C: 10.6 — ILO-WHO International Chemical Safety Cards (ICSCs)
    		Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    Solubility 1000000 mg·L⁻¹
    As reported: 1000000 mg/L (at 20 °C)
    Other sources (6)
    • greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) — CAMEO Chemicals
    • Soluble in water, ethanol and acetone — EU Food Improvement Agents
    • Soluble in benzene — Hazardous Substances Data Bank (HSDB)
    • Miscible with acetone and chloroform; soluble in ether. Will dissolve many essential oils, but is immiscible with fixed oils. — Hazardous Substances Data Bank (HSDB)
    • In water, 1X10+6 mg/L at 20 °C /miscible/ — Hazardous Substances Data Bank (HSDB)
    • Solubility in water: miscible — ILO-WHO International Chemical Safety Cards (ICSCs)
    		DrugBank
    Density 1.0361 g·cm⁻³
    As reported: 1.0361 g/cu cm at 20 °C
    Other sources (4)
    • 1.04 g·cm⁻³ (Relative density (water = 1): 1.04) — ILO-WHO International Chemical Safety Cards (ICSCs)
    • 1.04 at 68 °F (USCG, 1999) - Denser than water; will sink — CAMEO Chemicals
    • 1.04 — Occupational Safety and Health Administration (OSHA)
    • 1.0361 @ 20°C — PAC Chemical Database, U.S. Department of Energy
    		Hazardous Substances Data Bank (HSDB)
    Partition Coefficient (LogP) -0.92
    As reported: log Kow = -0.92
    Other sources (2)
    • -0.92 — ILO-WHO International Chemical Safety Cards (ICSCs)
    • -0.99 — SangsterLogP
    		Hazardous Substances Data Bank (HSDB)

    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: 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
    De-icing of car wind screens with aqueous potassium chloride solution Substituted
    • Potassium chloride (7447-40-7)
    		Other Antifreeze agent 2012 CMR neurotoxicant physical hazards
    Substitution of PFC-containing impregnating agents in textiles Substituted / Used as alternative
    • Functionalized polymers
    • Propane-1,2-diol (57-55-6)
    • Cationic surfactants
    		Manufacture of textiles, leather, fur Other In use — 2011 ecotoxicity other reasons
    New Durable Water Repellent (DWR) for Textiles based on a renewably sourced, non-fluorinated product Substituted
    • Durable water repellent, non-fluorinated
    		Manufacture of textiles, leather, fur Other In use — Year: 2016 Country: Germany / China 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