Isothioate
d44fb6c05b4e4fa5cc2c080bcdb4012109a42440
Identity
- Substance
- fo-42f5ff5aed049545 Neutral molecule
- Source
- ecoinvent algorithm addition
- Unit
- kg
- Context
- Environmental → Ground → Silvicultural
- CAS
- 36614-38-7
- EC
- —
Context
- Dimension
- Environmental
- Geography
- Silvicultural
- Media
- Ground
Alternative labels
5- Hosalon
- Hosdon
- O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate
- Phosphorodithioic acid, O,O-dimethyl S-[2-[(1-methylethyl)thio]ethyl] ester
- S-(2-Isopropylthioethyl) O,O-dimethyl phosphorodithioate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| ecoinvent | 3.12 | 96527ffd-2492-5eb4-a564-77d26936b306 | Isothioate | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this substance, which had no flow in this compartment, so this flow was created for the row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| ecoinvent 3.12 | 96527ffd-2492-5eb4-a564-77d26936b306 | Isothioate | soil / forestry | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- ecoinvent Centre 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 | ecoinvent Centre | Ecotoxicity, freshwater | — | 90.259 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 90.259 | restated |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 90.259 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 90.259 | restated |
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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