Molinate
f00b8882cbcdb8f82c99ea519cc040afc8aa7fb8
Identity
- Substance
- fo-bfcc2d946f3fcae8 Neutral molecule
- Source
- ecoinvent algorithm addition
- Unit
- kg
- Context
- Environmental → Ground → Silvicultural
- CAS
- 2212-67-1
- EC
- 218-661-0
Context
- Dimension
- Environmental
- Geography
- Silvicultural
- Media
- Ground
Alternative labels
19- (Azepan-1-yl)(ethylsulfanyl)methanone
- 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
- ethyl 1-hexamethyleneiminecarbothiolate
- Felan
- Hydram
- Jalan
- Ordram
- S-ethyl 1-hexamethyleneiminothiocarbamate
- S-ethyl azepane-1-carbothioate
- S-ethyl hexahydro-1H-azepine-1-carbothioate
- S-ethyl hexahydroazepine-1-carbothioate
- S-ethyl N,N-hexamethylenethiocarbamate
- S-ethyl N,N-hexamethylenothiocarbamate
- S-ethyl perhydroazepine-1-carbothioate
- S-ethyl perhydroazepine-1-thiocarboxylate
- S-ethyl-N-hexamethylenethiocarbamate
- Stauffer R 4572
- Yalan
- Yulan
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| ecoinvent | 3.12 | 9ca73b87-4ac1-58e7-aa70-14fd6c9f86d1 | Molinate | The CAS numbers are the same (2212-67-1); no flow of this substance sat in that compartment, so this one was created for the row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| ecoinvent 3.12 | 9ca73b87-4ac1-58e7-aa70-14fd6c9f86d1 | Molinate | soil / forestry | exactMatch | — |
Characterisation factors
10- consensus-flow-list 6
- 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 | ecoinvent Centre | Ecotoxicity, freshwater | — | 2,934.1 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 2,934.1 | restated |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 2,934.1 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 2,934.1 | restated |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer | — | 3.7387e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 3.7387e-06 | restated |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer_organics | — | 3.7387e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 3.7387e-06 | restated |
| Stepwise 2006 | consensus-flow-list | Ecotoxicity, aquatic | — | 17.180761 | carried |
| Stepwise 2006 | consensus-flow-list | Human toxicity, non-carc. | — | 2.04205 | carried |
History
The change log and the PROV-O trail (0 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