Diclocymet
f363ce64484bb47b6ff9ce082e877b2cfca2f792
Identity
- Substance
- fo-150559c2952bd1fc Neutral molecule
- Source
- ecoinvent algorithm addition
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 139920-32-4
- EC
- —
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
1- 2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| ecoinvent | 3.12 | 0f62c7c3-f56c-5011-a16e-3b483d350c08 | Diclocymet | Nothing in the list carried this substance, so this flow was created from this row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| ecoinvent 3.12 | 0f62c7c3-f56c-5011-a16e-3b483d350c08 | Diclocymet | soil / unspecified | exactMatch | — |
History
The change log and the PROV-O trail (0 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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"identifier": "",
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"source": "ecoinvent algorithm addition",
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],
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"media": "Ground",
"geography": "Unknown"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [],
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Something wrong here?
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