Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride
ae312a7a-0a5c-40c7-985a-c034df1a4c06
Identity
- Substance
- fo-ec1f8a43b4536556 Chemical salt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 46830-22-2
- EC
- 256-283-8
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Alternative labels
12- (2-Acryloxyethyl)dimethyl(benzyl)ammonium chloride
- 2-(Acryloyloxy)ethyldimethylbenzylammonium chloride
- 2-Acryloyloxyethyl(benzyl)dimethylammonium chloride
- N-(2-Acryloyloxyethyl)-N-benzyl-N,N-dimethylammonium chloride
- Acryloxyethyldimethylbenzyl ammonium chloride
- Acryloyloxyethylbenzyldimethylammonium chloride
- Acryloyloxyethyldimethylbenzylammonium chloride
- Adamquat BZ 80
- Benzenemethanaminium, N,N-dimethyl-N-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl]-, chloride (1:1)
- Benzenemethanaminium, N,N-dimethyl-N-[2-[(1-oxo-2-propenyl)oxy]ethyl]-, chloride
- Dimethylaminoethyl acrylate benzyl chloride quaternary salt
- Flockstar PCB 23
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | ae312a7a-0a5c-40c7-985a-c034df1a4c06 | benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride | 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 | ae312a7a-0a5c-40c7-985a-c034df1a4c06 | benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride | Emissions/Emissions to water/Emissions to water, unspecified | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
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 | — | 4,085.4 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 4,085.4 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 4,085.4 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 4,085.4 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 6.0279e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 6.0279e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 6.0279e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 6.0279e-08 | 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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