Butoxypropyl Acetate
fe0acd60-3ddc-11dd-a59e-0050c2490048
Identity
- Substance
- fo-80f818269478f045 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 85409-76-3
- EC
- 287-147-6
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
6- (2-Butoxy-1-methyl-ethyl)acetate
- 1-Butoxy-2-propanol acetate
- 1-Butoxy-2-propyl acetate
- 1-Butoxypropan-2-yl acetate
- 2-Propanol, 1-butoxy-, 2-acetate
- 2-Propanol, 1-butoxy-, acetate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | fe0acd60-3ddc-11dd-a59e-0050c2490048 | butoxypropyl acetate | 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 | fe0acd60-3ddc-11dd-a59e-0050c2490048 | butoxypropyl acetate | 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
Flow JSON
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