2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-propanoic Acid Methyl Ester
fe0acd60-3ddc-11dd-a12b-0050c2490048
Identity
- Substance
- fo-f2a856f13667449c Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- —
- EC
- —
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | fe0acd60-3ddc-11dd-a12b-0050c2490048 | 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-propanoic acid methyl ester | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | fe0acd60-3ddc-11dd-a12b-0050c2490048 | 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-propanoic acid methyl ester | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
History
The change log and the PROV-O trail (0 consensus changes)
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Full record
Flow JSON
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