Butyl acetate
15a42e54044be1383c3484c28c02397cc1d83809
Identity
- Substance
- fo-75974d0f165c36e4 Neutral molecule
- Source
- bafu algorithm addition
- Unit
- kg
- Context
- Environmental → Water → River
- CAS
- 123-86-4
- EC
- 204-658-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- River
Alternative labels
16- 1-acetoxybutane
- 1-butyl acetate
- acetate de butyle
- acetic acid n-butyl ester
- acetic acid, butyl ester
- butyl ester of acetic acid
- butyl ethanoate
- Butylacetat
- Butylazetat
- CH3COO(CH2)3CH3
- Essigsaeure-n-butylester
- Essigsaeurebutylester
- H 6D4051
- n-butyl acetate
- n-butyl ethanoate
- N-butyl-acetate
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| agribalyse | 3.2 | 10883ea2-bc11-585d-86cd-0ee3e57c828d | Butyl acetate | The CAS numbers are the same (123-86-4); both name the same compartment. |
| bafu | 2026-v1 | f43ce691-cfb5-50b9-beab-cbf35e03a84a | Butyl acetate | The CAS numbers are the same (123-86-4); no flow of this substance sat in that compartment, so this one was created for the row. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| bafu 2026-v1 | f43ce691-cfb5-50b9-beab-cbf35e03a84a | Butyl Acetate | emissions to water / river | exactMatch | — |
| agribalyse 3.2 | 10883ea2-bc11-585d-86cd-0ee3e57c828d | Butyl Acetate | Emissions to water / river | closeMatch | — |
Characterisation factors
4- consensus-flow-list 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 323.15 | carried |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 323.15 | carried |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.4569e-08 | carried |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.4569e-08 | carried |
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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Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works