Diisopropyl Sulfate
ec09b2cc97c17f829050cad71152a8e3f25d27db
Identity
- Substance
- fo-2a813d435f2b0f07 NeutralMolecule
- Source
- ecoinvent algorithm addition
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 2973-10-6
- EC
- 221-011-9
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
3- Isopropyl sulfate ((C3H7O)2SO2)
- Sulfuric acid, bis(1-methylethyl) ester
- Sulfuric acid, diisopropyl ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| ecoinvent | 3.12 | 8ab5b684-23b2-5330-a50c-6e948b0e80b7 | Diisopropyl Sulfate | 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 | 8ab5b684-23b2-5330-a50c-6e948b0e80b7 | Diisopropyl Sulfate | air / unspecified | exactMatch | — |
History
The change log and the PROV-O trail (0 consensus changes)
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Full record
Flow JSON
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