6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine)
717384fa-cf71-43de-953e-f54b90b93d02
Identity
- Substance
- fo-375bfbf78694ff82 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 121627-17-6
- EC
- 700-178-6
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
5- 2,2′-Bis[(1,1′-biphenyl-2,2′-diyl)phosphite]-3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl
- 6,6′-[[3,3′-Bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin]
- BIPHEPHOS
- Dibenzo[d,f][1,3,2]dioxaphosphepin, 6,6′-[[3,3′-bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis-
- Oxophos 17
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 717384fa-cf71-43de-953e-f54b90b93d02 | 6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine) | 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 | 717384fa-cf71-43de-953e-f54b90b93d02 | 6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine) | Emissions/Emissions to air/Emissions to air, unspecified | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 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 | European Commission — JRC | Human toxicity, non-cancer | — | 9.2681e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 9.2681e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 9.2681e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 9.2681e-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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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
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