Zinc bis(O,O-diisooctyl) Bis(dithiophosphate)
bf9d329c-92b0-428c-a2fc-16b127e044be
Identity
- Substance
- fo-a2155d4478ab7217 ChemicalSalt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Agricultural
- CAS
- 28629-66-5
- EC
- 249-109-7
Context
- Dimension
- Environmental
- Geography
- Agricultural
- Media
- Ground
Alternative labels
8- Bis(O,O-diisooctyl phosphorodithioato-κS,κS′)zinc
- Phosphorodithioic acid, O,O-diisooctyl ester, zinc complex
- Phosphorodithioic acid, O,O-diisooctyl ester, zinc salt
- Zinc bis(O,O-diisooctylphosphorodithioate-S,S′)
- Zinc bis(diisooctyl dithiophosphate)
- Zinc diisooctyl dithiophosphate
- Zinc, bis(O,O-diisooctyl phosphorodithioato-S,S′)-
- Zinc, bis(O,O-diisooctyl phosphorodithioato-κS,κS′)-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | bf9d329c-92b0-428c-a2fc-16b127e044be | zinc bis(O,O-diisooctyl) bis(dithiophosphate) | 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 | bf9d329c-92b0-428c-a2fc-16b127e044be | zinc bis(O,O-diisooctyl) bis(dithiophosphate) | Emissions/Emissions to soil/Emissions to agricultural soil | exactMatch | — |
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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