Methyl Nitrite
172a3dc5-6556-11dd-ad8b-0800200c9a66
Identity
- Substance
- fo-00f4ec877d1a8fef Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 624-91-9
- EC
- 210-870-5
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
1- Nitrous acid, methyl ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 172a3dc5-6556-11dd-ad8b-0800200c9a66 | methyl nitrite | 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 | 172a3dc5-6556-11dd-ad8b-0800200c9a66 | methyl nitrite | Emissions/Emissions to water/Emissions to fresh water | 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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