Ethyl (S)-2-hydroxypropionate
49a77754-5182-4de9-9284-4b877deb8eca
Identity
- Substance
- fo-2e8a33c259031070 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Long-term
- CAS
- 687-47-8
- EC
- 211-694-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Long-term
Alternative labels
27- (L)-(-)-ethyl lactate
- (L)-ethyl lactate
- ethyl (2S)-2-hydroxypropanoate
- (-)-Ethyl (S)-2-hydroxypropionate
- (-)-Ethyl 2-hydroxypropanoate
- (-)-Ethyl 2-hydroxypropionate
- (-)-Ethyl L-lactate
- (-)-Ethyl lactate
- (2S)-2-Hydroxypropanoic acid ethyl ester
- (2S)-2-Hydroxypropionic acid ethyl ester
- (2S)-Ethyl 2-hydroxypropanoate
- (S)-(-)-Ethyl lactate
- (S)-(-)-Lactic acid ethyl ester
- (S)-2-Hydroxypropanoic acid ethyl ester
- (S)-Lactic acid ethyl ester
- L-Ethyl lactate
- Ethyl (-)-(S)-lactate
- Ethyl (2S)-(-)-2-hydroxypropanoate
- Ethyl (2S)-hydroxypropanoate
- Ethyl (S)-(-)-2-hydroxypropionate
- Ethyl (S)-2-hydroxypropanoate
- Ethyl (S)-lactate
- Ethyl L-(-)-lactate
- Ethyl L-lactate
- Lactic acid, ethyl ester, (-)-
- Propanoic acid, 2-hydroxy-, ethyl ester, (2S)-
- Propanoic acid, 2-hydroxy-, ethyl ester, (S)-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 49a77754-5182-4de9-9284-4b877deb8eca | ethyl (S)-2-hydroxypropionate | 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 | 49a77754-5182-4de9-9284-4b877deb8eca | ethyl (S)-2-hydroxypropionate | Emissions/Emissions to water/Emissions to water, unspecified (long-term) | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4 (0 non-zero)
- European Commission — JRC 4 (0 non-zero)
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 | European Commission — JRC | Ecotoxicity, freshwater | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 0 | sole |
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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