Terbutryn
4d9a8790-3ddd-11dd-9c2b-0050c2490048
Identity
- Substance
- fo-33902944a26c500e Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
- CAS
- 886-50-0
- EC
- 212-950-5
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Rural (<1000 people/square mile)
- Strata
- Medium stack, <150 meters
Alternative labels
27- 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine
- 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine
- 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE
- 2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine
- N(2)-tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine
- N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
- N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
- N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
- Terbutryne
- 1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N′-ethyl-6-(methylthio)-
- 1,3,5-Triazine-2,4-diamine, N2-(1,1-dimethylethyl)-N4-ethyl-6-(methylthio)-
- 2-tert-Butylamino-4-ethylamino-6-methylthio-s-triazine
- 2-Ethylamino-4-methylthio-6-tert-butylamino-1,3,5-triazine
- 2-Methylmercapto-4-ethylamino-6-tert-butylamino-1,3,5-triazine
- 2-Methylthio-4-tert-butylamino-6-ethylamino-s-triazine
- 2-Methylthio-4-ethylamino-6-tert-butylamino-s-triazine
- 4-Ethylamino-2-methylthio-6-tert-butylamino-1,3,5-triazine
- 6-tert-Butylamino-4-ethylamino-2-methylthio-1,3,5-triazine
- N2-(1,1-Dimethylethyl)-N4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
- s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-
- tert-Butryn
- Clarosan
- Igran
- Igran 50
- Prebane
- Saterb
- Terbutrex
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 4d9a8790-3ddd-11dd-9c2b-0050c2490048 | terbutryn | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| ecoinvent | 3.12 | 778864d8-0846-5856-9882-d78ef3987450 | Terbutryn | The CAS numbers are the same (886-50-0); both name the same compartment. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 4d9a8790-3ddd-11dd-9c2b-0050c2490048 | terbutryn | Emissions/Emissions to air/Emissions to non-urban air or from high stacks | exactMatch | — |
| ecoinvent 3.12 | 778864d8-0846-5856-9882-d78ef3987450 | Terbutryn | air / non-urban air or from high stacks | closeMatch | — |
Characterisation factors
15- consensus-flow-list 7
- European Commission — JRC 4
- ecoinvent Centre 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 | — | 4,737.8 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 4,737.8 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 4,737.8 | agreed |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 4,737.8 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 4,737.8 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 4,737.8 | agreed |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.4146e-04 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer | — | 1.4146e-04 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.4146e-04 | agreed |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.4146e-04 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer_organics | — | 1.4146e-04 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.4146e-04 | agreed |
| Stepwise 2006 | consensus-flow-list | Ecotoxicity, aquatic | — | 1,245.648894 | carried |
| Stepwise 2006 | consensus-flow-list | Ecotoxicity, terrestrial | — | 6.036659 | carried |
| Stepwise 2006 | consensus-flow-list | Human toxicity, non-carc. | — | 263.541437 | carried |
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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}
Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works