2-ethylhexanoic Acid, Zirconium Salt
Everything that changed this flow. Back to the flow
5fb2c1f6-e71c-4329-ac91-72fcba25bdc6
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 5 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=2-ethylhexanoicacid,zirconiumsalt||dimension=Environmental > media=Air > strata=Unknown; cas=22464-99-9; added Common Chemistry CAS names as altLabel: Hexanoic acid, 2-ethyl-, zirconium salt, Hexanoic acid, 2-ethyl-, zirconium salt (1:?), Octa-Soligen Zirconium 10, Octope Zr, Zirconium 2-ethylhexanoate, Zirconium Hex-Cem; object_uuid=fo-aa9749f56f710b85 |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhexanoicacid,zirconiumsalt||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'22464-99-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-aa9749f56f710b85: {'22464-99-9': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['22464-99-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[6451377, 11125210, 13366094, 13388286, 73555628, 112500423, 170923288]; selected_pubchem_cids=[11125210, 13366094, 112500423, 170923288]; 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 |
|---|---|---|---|---|---|
| 2,088 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexanoic acid, zirconium salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 2,089 | bootstrap_labels | name | 2-ethylhexanoic acid, zirconium salt | — | Purged legacy name field to enforce prefLabel usage |
| 2,090 | bootstrap_labels | synonyms | ["organometallic","2-ethylhexanoicacid,zirconiumsalt"] | [] | Removed legacy synonyms field in favor of structured labels |
| 106,612 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 106,613 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 214,035 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,573 | normalize_name_case | prefLabel | [{"@value":"2-ethylhexanoic acid, zirconium salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2-ethylhexanoic Acid, Zirconium Salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,186 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 229,187 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,188 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.040.910","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['22464-99-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[6451377, 11125210, 13366094, 13388286, 73555628, 112500423, 170923288]; selected_pubchem_cids=[11125210, 13366094, 112500423, 170923288]; 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 |
| 248,894 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Zr]'; added: molecular_mass, monoisotopic_mass |
| 260,810 | consensus_match | altLabel | [] | [{"@value":"Hexanoic acid, 2-ethyl-, zirconium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=2-ethylhexanoicacid,zirconiumsalt||dimension=Environmental > media=Air > strata=Unknown; cas=22464-99-9; added Common Chemistry CAS names as altLabel: Hexanoic acid, 2-ethyl-, zirconium salt, Hexanoic acid, 2-ethyl-, zirconium salt (1:?), Octa-Soligen Zirconium 10, Octope Zr, Zirconium 2-ethylhexanoate, Zirconium Hex-Cem; object_uuid=fo-aa9749f56f710b85 |
| 260,811 | consensus_match | cas_match_labels | — | {"22464-99-9":"exactMatch"} | group_key=2-ethylhexanoicacid,zirconiumsalt||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'22464-99-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-aa9749f56f710b85: {'22464-99-9': 'exactMatch'} |
| 274,015 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylhexanoic Acid, Zirconium Salt' |
| 280,419 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | rdkit_post_consensus from 'CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,752 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 5 candidate structures, so no one mass describes it |
| 334,304 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5fb2c1f6-e71c-… | associations resolved on the elementary layer |
| 394,981 | 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/20260821T1302361922970000/2088 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v0 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v1 |
| ef:activity/change/20260821T1302361922970000/2089 | name | ef:agent/bootstrap_labels | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v1 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v2 |
| ef:activity/change/20260821T1302361922970000/2090 | synonyms | ef:agent/bootstrap_labels | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v2 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v3 |
| ef:activity/change/20260821T1302361922970000/106612 | context | ef:agent/default_context_mapping | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v3 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v4 |
| ef:activity/change/20260821T1302361922970000/106613 | context_iri | ef:agent/default_context_mapping | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v4 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v5 |
| ef:activity/change/20260821T1302361922970000/214035 | unit_iri | ef:agent/unit_normalization | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v5 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v6 |
| ef:activity/change/20260821T1302361922970000/221573 | prefLabel | ef:agent/normalize_name_case | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v6 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v7 |
| ef:activity/change/20260821T1302361922970000/229186 | properties | ef:agent/enrich_references | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v7 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v8 |
| ef:activity/change/20260821T1302361922970000/229187 | skos_definition | ef:agent/enrich_references | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v8 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v9 |
| ef:activity/change/20260821T1302361922970000/229188 | references | ef:agent/enrich_references | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v9 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v10 |
| ef:activity/change/20260821T1302361922970000/248894 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v10 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v11 |
| ef:activity/change/20260821T1302361922970000/260810 | altLabel | ef:agent/consensus_match | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v11 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v12 |
| ef:activity/change/20260821T1302361922970000/260811 | cas_match_labels | ef:agent/consensus_match | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v12 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v13 |
| ef:activity/change/20260821T1302361922970000/274015 | properties | ef:agent/opsin_iupac | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v13 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v14 |
| ef:activity/change/20260821T1302361922970000/280419 | properties | ef:agent/rdkit_post_consensus | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v14 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v15 |
| ef:activity/change/20260821T1302361922970000/286752 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v15 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v16 |
| ef:activity/change/20260821T1302361922970000/334304 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v16 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v17 |
| ef:activity/change/20260821T1302361922970000/394981 | types | ef:agent/link_flows_to_their_substance | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v17 | ef:flow/5fb2c1f6-e71c-4329-ac91-72fcba25bdc6/v18 |