Potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate
Everything that changed this flow. Back to the flow
00522cbe-0581-4dc3-88d8-7b4924606e89
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=potassium1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > indoor=Unknown; cas=7491-09-0; added Common Chemistry CAS names as altLabel: Bis(2-ethylhexyl) potassium sulfosuccinate, Bis-2-ethylhexyl-2-sulfobutane-1,4-dioate potassium salt, Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, potassium salt (1:1), Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, potassium salt, Dioctyl potassium sulfosuccinate, Docusate potassium, Potassium bis(2-ethylhexyl) sulfosuccinate, Potassium di(2-ethylhexyl) sulfosuccinate, Potassium dioctyl sulfosuccinate, Rectalad Enema, Succinic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, potassium salt; object_uuid=fo-b36dad06a22bf29c |
| cas_match_labels | 1 | consensus_match | group_key=potassium1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7491-09-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b36dad06a22bf29c: {'7491-09-0': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7491-09-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675755, 53471558, 87063852]; selected_pubchem_cids=[87063852]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 302 | bootstrap_labels | prefLabel | — | [{"@value":"potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGener… | Bootstrapped prefLabel from legacy name field |
| 303 | bootstrap_labels | name | potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 304 | bootstrap_labels | synonyms | ["organic","potassium1,2-bis(2-ethylhexyloxycarbonyl)ethanesulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 26,100 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 26,101 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,439 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,161 | normalize_name_case | prefLabel | [{"@value":"potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGener… | [{"@value":"Potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGener… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,457 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38KO7S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,458 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,459 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=7491-09-0","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['7491-09-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675755, 53471558, 87063852]; selected_pubchem_cids=[87063852]; 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 |
| 248,395 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38KO7S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38KO7S… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.[K]'; added: molecular_mass, monoisotopic_mass |
| 270,842 | consensus_match | altLabel | [] | [{"@value":"Bis(2-ethylhexyl) potassium sulfosuccinate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=potassium1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > indoor=Unknown; cas=7491-09-0; added Common Chemistry CAS names as altLabel: Bis(2-ethylhexyl) potassium sulfosuccinate, Bis-2-ethylhexyl-2-sulfobutane-1,4-dioate potassium salt, Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, potassium salt (1:1), Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, potassium salt, Dioctyl potassium sulfosuccinate, Docusate potassium, Potassium bis(2-ethylhexyl) sulfosuccinate, Potassium di(2-ethylhexyl) sulfosuccinate, Potassium dioctyl sulfosuccinate, Rectalad Enema, Succinic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, potassium salt; object_uuid=fo-b36dad06a22bf29c |
| 270,843 | consensus_match | cas_match_labels | — | {"7491-09-0":"exactMatch"} | group_key=potassium1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7491-09-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b36dad06a22bf29c: {'7491-09-0': 'exactMatch'} |
| 273,536 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38KO7S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38KO7S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate' |
| 279,892 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38KO7S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H37KO7S… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,734 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H37KO7S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H37KO7S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 294,114 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/00522cbe-0581-… | associations resolved on the elementary layer |
| 394,302 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T0738569779880000/302 | prefLabel | ef:agent/bootstrap_labels | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v0 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v1 |
| ef:activity/change/20260820T0738569779880000/303 | name | ef:agent/bootstrap_labels | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v1 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v2 |
| ef:activity/change/20260820T0738569779880000/304 | synonyms | ef:agent/bootstrap_labels | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v2 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v3 |
| ef:activity/change/20260820T0738569779880000/26100 | context | ef:agent/default_context_mapping | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v3 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v4 |
| ef:activity/change/20260820T0738569779880000/26101 | context_iri | ef:agent/default_context_mapping | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v4 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v5 |
| ef:activity/change/20260820T0738569779880000/213439 | unit_iri | ef:agent/unit_normalization | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v5 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v6 |
| ef:activity/change/20260820T0738569779880000/221161 | prefLabel | ef:agent/normalize_name_case | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v6 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v7 |
| ef:activity/change/20260820T0738569779880000/227457 | properties | ef:agent/enrich_references | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v7 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v8 |
| ef:activity/change/20260820T0738569779880000/227458 | skos_definition | ef:agent/enrich_references | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v8 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v9 |
| ef:activity/change/20260820T0738569779880000/227459 | references | ef:agent/enrich_references | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v9 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v10 |
| ef:activity/change/20260820T0738569779880000/248395 | properties | ef:agent/rdkit_pre_consensus | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v10 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v11 |
| ef:activity/change/20260820T0738569779880000/270842 | altLabel | ef:agent/consensus_match | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v11 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v12 |
| ef:activity/change/20260820T0738569779880000/270843 | cas_match_labels | ef:agent/consensus_match | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v12 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v13 |
| ef:activity/change/20260820T0738569779880000/273536 | properties | ef:agent/opsin_iupac | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v13 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v14 |
| ef:activity/change/20260820T0738569779880000/279892 | properties | ef:agent/rdkit_post_consensus | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v14 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v15 |
| ef:activity/change/20260820T0738569779880000/286734 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v15 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v16 |
| ef:activity/change/20260820T0738569779880000/294114 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v16 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v17 |
| ef:activity/change/20260820T0738569779880000/394302 | types | ef:agent/link_flows_to_their_substance | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v17 | ef:flow/00522cbe-0581-4dc3-88d8-7b4924606e89/v18 |