Potassium 2-ethylhexanoate
Everything that changed this flow. Back to the flow
a87e22ab-af4e-43d4-b613-11ff0c1f8c84
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 9 catalogue altLabel value(s): 'B 15G' (grade code), 'Hexcem 977' (trade name), 'K 15' (grade code), 'P 0048' (grade code), 'Pelcat 9540' (trade name), 'Pelcat 9540A' (trade name), 'Pelron 9540' (trade name), 'T 45' (grade code), 'T 45 (catalyst)' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=potassium2-ethylhexanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3164-85-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8293857dd0451496: {'3164-85-0': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3164-85-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23669619, 45357293, 53338774, 87404189, 154825331]; selected_pubchem_cids=[87404189]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,642 | bootstrap_labels | prefLabel | — | [{"@value":"potassium 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 12,643 | bootstrap_labels | name | potassium 2-ethylhexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 12,644 | bootstrap_labels | synonyms | ["organic","potassium2-ethylhexanoate","niaxâ«catalystpotassiumoctoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 150,026 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 150,027 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 217,522 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,028 | normalize_name_case | prefLabel | [{"@value":"potassium 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"Potassium 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,190 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16KO2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,191 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,192 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3164-85-0","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3164-85-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23669619, 45357293, 53338774, 87404189, 154825331]; selected_pubchem_cids=[87404189]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 251,770 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16KO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16KO2"]… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O.[K]'; added: molecular_mass, monoisotopic_mass |
| 270,826 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexanoic acid potassium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=potassium2-ethylhexanoate||dimension=Environmental > media=Water > water_body=Long-term; cas=3164-85-0; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoic acid potassium salt, B 15G, Dabco K 15, Dabco K 5, Dabco T 45, Dabco T 45L, Hex-Cem K 15, Hexanoic acid, 2-ethyl-, potassium salt, Hexanoic acid, 2-ethyl-, potassium salt (1:1), Hexcem 977, Hexoate Potassium, K 15, K-Zero 3000, K-Zero G, NUSA K, Niax K-Zero G, Niax K-ZeroG, Nikka Octhix Potassium, P 0048, Pelcat 9540, Pelcat 9540A, Pelron 9540, Potassium 2-ethylcapronate, Potassium Hex-Cem, Pucat 15G, T 45, T 45 (catalyst), Tegokat K 15, Voracor CM 822; object_uuid=fo-8293857dd0451496 |
| 270,827 | consensus_match | cas_match_labels | — | {"3164-85-0":"exactMatch"} | group_key=potassium2-ethylhexanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3164-85-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8293857dd0451496: {'3164-85-0': 'exactMatch'} |
| 276,957 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16KO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16KO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Potassium 2-ethylhexanoate' |
| 283,608 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16KO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15KO2",… | rdkit_post_consensus from 'CCCCC(CC)C(=O)[O-].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,000 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15KO2",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15KO2",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,864 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexanoic acid potassium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"2-Ethylhexanoic acid potassium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 9 catalogue altLabel value(s): 'B 15G' (grade code), 'Hexcem 977' (trade name), 'K 15' (grade code), 'P 0048' (grade code), 'Pelcat 9540' (trade name), 'Pelcat 9540A' (trade name), 'Pelron 9540' (trade name), 'T 45' (grade code), 'T 45 (catalyst)' (grade code) |
| 356,035 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a87e22ab-af4e-… | associations resolved on the elementary layer |
| 399,287 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/12642 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v0 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v1 |
| ef:activity/change/20260821T1554374006150000/12643 | name | ef:agent/bootstrap_labels | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v1 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v2 |
| ef:activity/change/20260821T1554374006150000/12644 | synonyms | ef:agent/bootstrap_labels | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v2 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v3 |
| ef:activity/change/20260821T1554374006150000/150026 | context | ef:agent/default_context_mapping | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v3 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v4 |
| ef:activity/change/20260821T1554374006150000/150027 | context_iri | ef:agent/default_context_mapping | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v4 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v5 |
| ef:activity/change/20260821T1554374006150000/217522 | unit_iri | ef:agent/unit_normalization | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v5 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v6 |
| ef:activity/change/20260821T1554374006150000/224028 | prefLabel | ef:agent/normalize_name_case | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v6 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v7 |
| ef:activity/change/20260821T1554374006150000/239190 | properties | ef:agent/enrich_references | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v7 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v8 |
| ef:activity/change/20260821T1554374006150000/239191 | skos_definition | ef:agent/enrich_references | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v8 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v9 |
| ef:activity/change/20260821T1554374006150000/239192 | references | ef:agent/enrich_references | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v9 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v10 |
| ef:activity/change/20260821T1554374006150000/251770 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v10 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v11 |
| ef:activity/change/20260821T1554374006150000/270826 | altLabel | ef:agent/consensus_match | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v11 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v12 |
| ef:activity/change/20260821T1554374006150000/270827 | cas_match_labels | ef:agent/consensus_match | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v12 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v13 |
| ef:activity/change/20260821T1554374006150000/276957 | properties | ef:agent/opsin_iupac | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v13 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v14 |
| ef:activity/change/20260821T1554374006150000/283608 | properties | ef:agent/rdkit_post_consensus | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v14 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v15 |
| ef:activity/change/20260821T1554374006150000/287000 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v15 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v16 |
| ef:activity/change/20260821T1554374006150000/289864 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v16 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v17 |
| ef:activity/change/20260821T1554374006150000/356035 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v17 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v18 |
| ef:activity/change/20260821T1554374006150000/399287 | types | ef:agent/link_flows_to_their_substance | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v18 | ef:flow/a87e22ab-af4e-43d4-b613-11ff0c1f8c84/v19 |