Barium Bis(2-ethylhexanoate)
Everything that changed this flow. Back to the flow
0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types 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=bariumbis(2-ethylhexanoate)||dimension=Environmental > media=Air > indoor=Unknown; cas=2457-01-4; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoic acid barium salt, Barium 2-ethylhexanoate, Barium di(2-ethylhexanoate), Barium diethylhexanoate, Barium(II) 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, barium salt, Hexanoic acid, 2-ethyl-, barium salt (2:1), Nikka Octhix Ba 15%T, Nikka Octhix Barium; object_uuid=fo-da365e4f1c9bcf90 |
| cas_match_labels | 1 | consensus_match | group_key=bariumbis(2-ethylhexanoate)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2457-01-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-da365e4f1c9bcf90: {'2457-01-4': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2457-01-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[75363, 102821, 16212318, 71311386, 131876548]; selected_pubchem_cids=[16212318]; 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 |
|---|---|---|---|---|---|
| 311 | bootstrap_labels | prefLabel | — | [{"@value":"barium bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 312 | bootstrap_labels | name | barium bis(2-ethylhexanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 313 | bootstrap_labels | synonyms | ["inorganic","bariumbis(2-ethylhexanoate)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 46,118 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 46,119 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 213,442 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,164 | normalize_name_case | prefLabel | [{"@value":"barium bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Barium Bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,466 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16BaO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,467 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,468 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2457-01-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[75363, 102821, 16212318, 71311386, 131876548]; selected_pubchem_cids=[16212318]; 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 |
| 248,398 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16BaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16BaO2"… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O.[Ba]'; added: molecular_mass, monoisotopic_mass |
| 264,015 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexanoic acid barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=bariumbis(2-ethylhexanoate)||dimension=Environmental > media=Air > indoor=Unknown; cas=2457-01-4; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoic acid barium salt, Barium 2-ethylhexanoate, Barium di(2-ethylhexanoate), Barium diethylhexanoate, Barium(II) 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, barium salt, Hexanoic acid, 2-ethyl-, barium salt (2:1), Nikka Octhix Ba 15%T, Nikka Octhix Barium; object_uuid=fo-da365e4f1c9bcf90 |
| 264,016 | consensus_match | cas_match_labels | — | {"2457-01-4":"exactMatch"} | group_key=bariumbis(2-ethylhexanoate)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2457-01-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-da365e4f1c9bcf90: {'2457-01-4': 'exactMatch'} |
| 273,539 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16BaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16BaO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Barium Bis(2-ethylhexanoate)' |
| 279,895 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16BaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30BaO4… | rdkit_post_consensus from 'CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,664 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30BaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30BaO4… | withhold_contradicted_composition: the registry registers [(('Ba', 1), ('C', 16), ('O', 4))], contradicting ['C8H16BaO2'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 304,105 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0eca982c-e8ed-… | associations resolved on the elementary layer |
| 387,816 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30BaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30BaO4… | typed the way the ontology types it |
| 394,306 | 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/20260820T0738569779880000/311 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v0 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v1 |
| ef:activity/change/20260820T0738569779880000/312 | name | ef:agent/bootstrap_labels | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v1 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v2 |
| ef:activity/change/20260820T0738569779880000/313 | synonyms | ef:agent/bootstrap_labels | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v2 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v3 |
| ef:activity/change/20260820T0738569779880000/46118 | context | ef:agent/default_context_mapping | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v3 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v4 |
| ef:activity/change/20260820T0738569779880000/46119 | context_iri | ef:agent/default_context_mapping | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v4 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v5 |
| ef:activity/change/20260820T0738569779880000/213442 | unit_iri | ef:agent/unit_normalization | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v5 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v6 |
| ef:activity/change/20260820T0738569779880000/221164 | prefLabel | ef:agent/normalize_name_case | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v6 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v7 |
| ef:activity/change/20260820T0738569779880000/227466 | properties | ef:agent/enrich_references | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v7 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v8 |
| ef:activity/change/20260820T0738569779880000/227467 | skos_definition | ef:agent/enrich_references | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v8 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v9 |
| ef:activity/change/20260820T0738569779880000/227468 | references | ef:agent/enrich_references | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v9 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v10 |
| ef:activity/change/20260820T0738569779880000/248398 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v10 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v11 |
| ef:activity/change/20260820T0738569779880000/264015 | altLabel | ef:agent/consensus_match | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v11 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v12 |
| ef:activity/change/20260820T0738569779880000/264016 | cas_match_labels | ef:agent/consensus_match | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v12 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v13 |
| ef:activity/change/20260820T0738569779880000/273539 | properties | ef:agent/opsin_iupac | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v13 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v14 |
| ef:activity/change/20260820T0738569779880000/279895 | properties | ef:agent/rdkit_post_consensus | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v14 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v15 |
| ef:activity/change/20260820T0738569779880000/286664 | properties | ef:agent/withhold_contradicted_composition | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v15 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v16 |
| ef:activity/change/20260820T0738569779880000/304105 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v16 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v17 |
| ef:activity/change/20260820T0738569779880000/387816 | properties | ef:agent/normalise_property_values | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v17 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v18 |
| ef:activity/change/20260820T0738569779880000/394306 | types | ef:agent/link_flows_to_their_substance | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v18 | ef:flow/0eca982c-e8ed-4e80-ac7e-c67c6cd3b1f8/v19 |