4-cyanophenyl Acetate
7f776c7e-6774-443e-bd59-52e33485dc71
Identity
- Substance
- fo-7e3caa40081747d1 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 13031-41-9
- EC
- 235-893-8
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
7- 4-(Acetyloxy)benzonitrile
- 4-Acetoxybenzonitrile
- p-Acetoxybenzonitrile
- p-Cyanophenyl acetate
- Benzonitrile, 4-(acetyloxy)-
- Benzonitrile, p-hydroxy-, acetate
- Benzonitrile, p-hydroxy-, acetate (ester)
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 7f776c7e-6774-443e-bd59-52e33485dc71 | 4-cyanophenyl acetate | 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 | 7f776c7e-6774-443e-bd59-52e33485dc71 | 4-cyanophenyl acetate | Emissions/Emissions to water/Emissions to fresh water | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 11,303 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 11,303 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 11,303 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 11,303 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
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