Isoprothiolane
33a2a217-83bb-47eb-a66d-083c6270f3f0
Identity
- Substance
- fo-45688ee371956e3c Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 50512-35-1
- EC
- 610-537-8
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Alternative labels
11- bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate
- di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate
- di-isopropyl 1,3-dithiolane-2-ylidenemalonate
- diisopropyl 1,3-dithiolan-2-ylidenemalonate
- diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate
- Ipt (isoprothiolane)
- Fuji-one
- IPT
- IPT (pesticide)
- Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester
- Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 33a2a217-83bb-47eb-a66d-083c6270f3f0 | ipt (isoprothiolane) | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| ecoinvent | 3.12 | 82648fa1-ece0-5335-a673-3c8ae73d538d | Isoprothiolane | The CAS numbers are the same (50512-35-1); both name the same compartment. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 33a2a217-83bb-47eb-a66d-083c6270f3f0 | ipt (isoprothiolane) | Emissions/Emissions to water/Emissions to water, unspecified | exactMatch | — |
| ecoinvent 3.12 | 82648fa1-ece0-5335-a673-3c8ae73d538d | Isoprothiolane | water / unspecified | closeMatch | — |
Characterisation factors
6- consensus-flow-list 2
- European Commission — JRC 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 | European Commission — JRC | Ecotoxicity, freshwater | — | 2,845.9 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 2,845.9 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 2,845.9 | agreed |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 2,845.9 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 2,845.9 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 2,845.9 | agreed |
History
The change log and the PROV-O trail (4 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