1-ethyl-3-methylbenzene
172a3da1-6556-11dd-ad8b-0800200c9a66
Identity
- Substance
- fo-233325790bc61c9f NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 620-14-4
- EC
- 210-626-8
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
8- 1-Methyl-3-ethylbenzene
- m-Ethylmethylbenzene
- m-Ethyltoluene
- m-Methylethylbenzene
- 3-Ethyltoluene
- 3-Methylethylbenzene
- Benzene, 1-ethyl-3-methyl-
- Toluene, m-ethyl-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 172a3da1-6556-11dd-ad8b-0800200c9a66 | 1-ethyl-3-methylbenzene | 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 | 172a3da1-6556-11dd-ad8b-0800200c9a66 | 1-ethyl-3-methylbenzene | Emissions/Emissions to soil/Emissions to soil, unspecified | 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
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