Potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate
e07c58c3-8b1e-4938-88c6-e5d4576e116a
Identity
- Substance
- fo-129e139ac4128809 Molecular complex
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Non-agricultural
- CAS
- 961-69-3
- EC
- 213-510-5
Context
- Dimension
- Environmental
- Geography
- Non-agricultural
- Media
- Ground
Alternative labels
5- Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-
- Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (R)-
- Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (αR)-
- Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, D-(-)-
- Potassium D-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | e07c58c3-8b1e-4938-88c6-e5d4576e116a | potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)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 | e07c58c3-8b1e-4938-88c6-e5d4576e116a | potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate | Emissions/Emissions to soil/Emissions to non-agricultural soil | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
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 | — | 7.4627 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 7.4627 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 7.4627 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 7.4627 | 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
{
"altLabel": [
{
"@value": "Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, potassium salt (1:1), (αR)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:961-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=961-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (R)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:961-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=961-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzeneacetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (αR)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:961-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=961-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Crotonic acid, 3-[(α-carboxybenzyl)amino]-, 1-ethyl ester, monopotassium salt, D-(-)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:961-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=961-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Potassium D-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:961-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=961-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H17KNO4"
],
"attested_by": {
"C14H17KNO4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HWZMIXRSXILFMS-BTQNPOSSSA-N"
],
"attested_by": {
"HWZMIXRSXILFMS-BTQNPOSSSA-N": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCOC(=O)C=C(C)NC(C(=O)O)c1ccccc1.[K]"
],
"attested_by": {
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"CCOC(=O)C=C(C)N[C@H](C1=CC=CC=C1)C(=O)O.[K]": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)N[C@H](C1=CC=CC=C1)C(=O)O.[K]"
],
"prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);",
"InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/t13-;/m1./s1"
],
"attested_by": {
"InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/t13-;/m1./s1": [
"enrich_references.pubchem_semantic"
],
"InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
302.391
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
}
],
"attested_by": {
"302.391": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
302.079465
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
}
],
"attested_by": {
"302.079465": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/isomeric_smiles_string": {
"rdfs:label": "isomeric smiles string",
"@value": [
"CCOC(=O)C=C(C)N[C@H](C1=CC=CC=C1)C(=O)O.[K]"
],
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O.[K]"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "smiles_string"
}
]
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=961-69-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071;CAS:961-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[961-69-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131864071",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131864071;CAS:961-69-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[961-69-3]"
}
}
],
"prefLabel": [
{
"@value": "Potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/MolecularComplex"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "e07c58c3-8b1e-4938-88c6-e5d4576e116a",
"identifier": "e07c58c3-8b1e-4938-88c6-e5d4576e116a",
"source": "EF 3.1",
"cas_numbers": [
"961-69-3"
],
"ec_numbers": [
"213-510-5"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Non-agricultural"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 7.4627
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 7.4627
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-129e139ac4128809",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/e07c58c3-8b1e-4938-88c6-e5d4576e116a",
"skos:prefLabel": "potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate",
"context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/e07c58c3-8b1e-4938-88c6-e5d4576e116a"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/e07c58c3-8b1e-4938-88c6-e5d4576e116a"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "link_flows_to_their_substance",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"961-69-3": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate",
"synonyms": [
"potassium(r)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate",
"phenylglycinedanesalt",
"potassium(2r)-2-{[(2z)-4-ethoxy-4-oxobut-2-en-2-yl]amino}-2-phenylacetate",
"potassium[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate",
"potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to non-agricultural soil"
],
"cas_numbers": [
"961-69-3"
],
"ec_numbers": [
"213-510-5"
],
"unit": "kg"
}
}