危害評估總覽 說明
危害診斷模組
危害診斷模組是由以下四種計算化學方法構成，所預測之毒性警示提供參考，仍須與其他資料綜合評估：
- 子結構警示
- 相似性警示
- 交叉參照
- 分類模型
| SMARTS 結構表示式 | 終點 | 資料來源 | 作者 | 期刊出處 |
|---|
物化特性
| 性質 | 數值 | 資料來源 |
|---|---|---|
| 沸點 |
56.1111 °C
原文：133 °F at 760 mmHg (NTP, 1992)
其他來源（5 筆）
|
CAMEO Chemicals |
| 熔點 |
-93.8889 °C
原文：-137 °F (NTP, 1992)
其他來源（5 筆）
|
CAMEO Chemicals |
| 閃火點 |
-17.7778 °C
原文：0 °F (NTP, 1992)
其他來源（6 筆）
|
CAMEO Chemicals |
| 蒸氣壓 |
30.7974 kPa
原文：231.0 [mmHg]
其他來源（5 筆）
|
Haz-Map, Information on Hazardous Chemicals and Occupational Diseases |
| 溶解度 |
1000000 mg·L⁻¹
原文：1000 mg/mL at 25 °C
其他來源（8 筆）
|
Human Metabolome Database (HMDB) |
| 密度 |
0.7845 g·cm⁻³
原文：0.7845 g/cu cm at 20 °C
其他來源（6 筆）
|
Hazardous Substances Data Bank (HSDB) |
| 分配係數 (LogP) |
-0.24
原文：log Kow = -0.24
其他來源（2 筆）
|
Hazardous Substances Data Bank (HSDB) |
資料來源：PubChem
安全替代物
安全替代物參考目前安全替代資料庫與軟體運作邏輯，分為以下三類：
- 系統透過美國環保署 ChemView 資料庫整理各化學物工業用途，結合美國環保署更安全化學物質， 建立個別化學品安全替代物清單。化學品可能具有多個工業用途，故系統採手風琴式展開清單， 點選「建議安全替代物」標籤即可展開表格。若用途較為廣泛（例：「商業用途」），清單內可能出現 更精確之工業用途（例：「溶劑」）的安全替代物。若無資訊，可參考「依工業用途（完整清單）」進行人工篩選。
- 依工業用途區分（完整清單）。此清單為整理工業用途較安全化學物，未必可直接替代本頁化學物質。 建議使用此頁籤右上方搜尋欄過濾工業用途再行篩選，例如「抗氧化劑」。資料來源： 美國環保署更安全化學物質成分清單 Safer Chemical Ingredients List
-
依結構相似性分類，需具備：
- 由結構相似性尋找具有相似官能基之化學物質（谷本相關係數 ≥ 0.8），功能可能相近。
- 由風險評估判定為較低風險之化學物質，如等級 3、等級 4，或資料不足（U）。
- 依實際案例探討。資料來源 OECD SAAT
系統依照子結構，列出風險等級為三級（可用、但可尋求更安全替代物）、四級（安全化學物質）、與資料不足（U、無足夠資料可供判別風險等級） 說明
下載：
SCIL（CSV格式）
SCIL（XLSX格式）
ZeroPM PFAS（CSV格式）
ZeroPM PFAS（XLSX格式）
SUBSPORT+ 案例替代方案（CSV格式）
SUBSPORT+ 案例替代方案（XLSX格式）
| 名稱 | CAS | 工業用途 | 安全性 | 註解 |
|---|
此化學物不在 ZeroPM PFAS 替代方案資料庫中。
SUBSPORT+ 替代案例
SUBSPORT+ 案例資料庫中與本化學物相關的實際替代案例（英文記錄）。
| 案例 | 本化學物的角色 | 替代方案 | 產業 | 功能 | 實施狀況 | 替代理由 |
|---|---|---|---|---|---|---|
| Substitution of toluene, xylene and naphtha as solvents for cleaning tools in garages | 被替代 |
|
General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment | Solvent | In use — 2006 in Spain | other toxic effects |
| Substitution of a neurotoxic solvent that contained acetates and acetone used in the cleaning of metal parts | 被替代 |
|
General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment | Solvent | In use — 2011 en España | neurotoxicant |
| Fire-resistant and flame proof coating for polymeric thermoplastics and thermoset resins. | 被替代 |
|
Building and construction work Manufacture of rubber products Manufacture of plastics products, including compounding and conversion | Flame retardant | Pilot study | ecotoxicity physical hazards CMR |
| Alternatives for parquet adhesive products | 被替代 |
|
Manufacture of wood and wood products Building and construction work | Sizing agent | In use — 2011 in Germany and other European countries | physical hazards |
| Removal of contact glue in boat cabins | 被替代 | 未說明 | Agriculture, forestry, fishery Other | Cleaning agent Solvent | In use — 2010 | neurotoxicant skin/respiratory sensitizing physical hazards |
| Substituting Methanol and Borax in gold jewellery production. | 作為替代品 |
|
Manufacture of fabricated metal products, except machinery and equipment General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment | Other | In use | skin/respiratory sensitizing other toxic effects |
| Cleaning of tools used for polyester resin with propylene carbonate as alternative to acetone | 被替代 |
|
General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Other | Cleaning agent | In use — USA | physical hazards neurotoxicant |
| Safer Alternatives to Solvent Aerosol Automotive Cleaning Products | 作為替代品 |
|
General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Other | Cleaning agent | Full capacity — 2004 USA | ED ecotoxicity skin/respiratory sensitizing |
| Alternatives to Toxic, VOC, Ozone Depleting and Global Warming Energised Electrical Equipment Cleaners | 作為替代品 |
|
Scientific research and development | Cleaning agent | Full capacity | CMR skin/respiratory sensitizing ecotoxicity |
| Assessment, development and demonstration of alternatives for parachlorobenzotrifluoride | 作為替代品 |
|
Building and construction work Scientific research and development | Cleaning agent | In use — 2006 USA | CMR skin/respiratory sensitizing |
| Assessment, development and demonstration of alternatives for n-propyl bromide | 作為替代品 |
|
Manufacture of rubber products Manufacture of plastics products, including compounding and conversion Building and construction work Scientific research and development | Cleaning agent | In use — 2006 USA | CMR physical hazards skin/respiratory sensitizing |
| Assessment, development and demonstration of alternatives for n-methyl pyrrolidone | 作為替代品 |
|
Building and construction work Electricity, steam, gas water supply and sewage treatment Scientific research and development | Cleaning agent | Full capacity — 2006 USA | physical hazards skin/respiratory sensitizing |
| Assessment, development and demonstration of alternatives for 1,2-trans-dichloroethylene | 作為替代品 |
|
Building and construction work Manufacture of computer, electronic and optical products, electrical equipment Scientific research and development | Cleaning agent | In use — 2006 USA | physical hazards skin/respiratory sensitizing ecotoxicity |
| Substitution of toluene, benzene and cyclohexane in the treatment of leather for footwear manufacture | 作為替代品 |
|
Manufacture of textiles, leather, fur | Solvent Tanning agent | Full capacity — 2008, Spain | ED skin/respiratory sensitizing other toxic effects ecotoxicity physical hazards |
| Dibasic esters as alternative to acetone in cleaning tools and equipments used for fiberglass polyester laminate | 被替代 |
|
Other | Cleaning agent | In use — USA | skin/respiratory sensitizing physical hazards |
| Replacement of dichloromethane, trichloroethane, acetone and toluene by dibasic esters as cleaning solvent in a yacht company | 被替代 |
|
Agriculture, forestry, fishery Other | Cleaning agent Solvent | In use | CMR skin/respiratory sensitizing ecotoxicity physical hazards |
| Substitution of acetone used for washing contaminated machine parts | 被替代 |
|
Manufacture of fine chemicals | Cleaning agent | In use | neurotoxicant other toxic effects other reasons |
| Alternatives to perchloroethylene vapour degreasing for plating operations | 作為替代品 |
|
General manufacturing, e.g. machinery, equipment, vehicles, other transport equipment Manufacture of fabricated metal products, except machinery and equipment | Cleaning agent | 2003 in Canada | CMR |
OECD SAAT 替代方案案例
OECD SAAT 案例完整清單（不隨化學物過濾）。
| 實例探討名稱 | 連結 | 發佈日期 | 發佈單位 | 相關產品 | 敘述 |
|---|