Bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium
Everything that changed this flow. Back to the flow
96bf93bf-091e-47ae-8688-97933ae01c15
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'83877-91-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-721383c39c522d04: {'83877-91-2': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['83877-91-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[54693003, 73556931, 90476578, 121233189, 122130394, 131860445, 171036574, 177839571]; selected_pubchem_cids=[131860445]; 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 |
|---|---|---|---|---|---|
| 10,988 | bootstrap_labels | prefLabel | — | [{"@value":"bis(ethylacetoacetato‐o1',o3\")bis(2‐methylpropan‐1‐olato)titanium","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 10,989 | bootstrap_labels | name | bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium | — | Purged legacy name field to enforce prefLabel usage |
| 10,990 | bootstrap_labels | synonyms | ["organometallic","bis(ethylacetoacetato-o1'",",o3)bis(2-methylpropan-1-olato)titanium","tytans6","tyzoribay","tyzo… | [] | Removed legacy synonyms field in favor of structured labels |
| 139,362 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 139,363 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 216,983 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,657 | normalize_name_case | prefLabel | [{"@value":"bis(ethylacetoacetato‐o1',o3\")bis(2‐methylpropan‐1‐olato)titanium","@language":"en","source":{"prov:wasGen… | [{"@value":"Bis(ethylacetoacetato‐o1',o3\")bis(2‐methylpropan‐1‐olato)titanium","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,638 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,639 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,640 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=83877-91-2","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['83877-91-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[54693003, 73556931, 90476578, 121233189, 122130394, 131860445, 171036574, 177839571]; selected_pubchem_cids=[131860445]; 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 |
| 251,319 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | rdkit_pre_consensus from 'CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.CC(C)C[O-].CC(C)C[O-].[Ti+4]'; added: molecular_mass, monoisotopic_mass |
| 264,368 | consensus_match | altLabel | [] | [{"@value":"1-Propanol, 2-methyl-, titanium complex","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; cas=83877-91-2; added Common Chemistry CAS names as altLabel: 1-Propanol, 2-methyl-, titanium complex, AL-T, Bis(ethyl acetoacetato)diisobutoxytitanium, Butanoic acid, 3-oxo-, ethyl ester, titanium complex, Catalyst AL-T, Diisobutoxy bis(ethylacetoacetato)titanate, T-IBAY, Titanium(IV) bis(ethylacetoacetato)diisobutoxide, Titanium, bis(ethyl 3-oxobutanoato-κ<em>O</em><sup>1′</sup>,κ<em>O</em><sup>3</sup>)bis(2-methyl-1-propanolato)-, Tytan S 6, Tyzor IBAY; object_uuid=fo-721383c39c522d04 |
| 264,369 | consensus_match | cas_match_labels | — | {"83877-91-2":"exactMatch"} | group_key=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'83877-91-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-721383c39c522d04: {'83877-91-2': 'exactMatch'} |
| 283,113 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | rdkit_post_consensus from 'CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.CC(C)C[O-].CC(C)C[O-].[Ti+4]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,543 | dedupe_altlabels | altLabel | [{"@value":"1-Propanol, 2-methyl-, titanium complex","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"1-Propanol, 2-methyl-, titanium complex","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 350,682 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/96bf93bf-091e-… | associations resolved on the elementary layer |
| 390,858 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H36O8Ti… | typed the way the ontology types it |
| 398,651 | 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/20260822T0600486828500000/10988 | prefLabel | ef:agent/bootstrap_labels | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v0 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v1 |
| ef:activity/change/20260822T0600486828500000/10989 | name | ef:agent/bootstrap_labels | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v1 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v2 |
| ef:activity/change/20260822T0600486828500000/10990 | synonyms | ef:agent/bootstrap_labels | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v2 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v3 |
| ef:activity/change/20260822T0600486828500000/139362 | context | ef:agent/default_context_mapping | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v3 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v4 |
| ef:activity/change/20260822T0600486828500000/139363 | context_iri | ef:agent/default_context_mapping | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v4 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v5 |
| ef:activity/change/20260822T0600486828500000/216983 | unit_iri | ef:agent/unit_normalization | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v5 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v6 |
| ef:activity/change/20260822T0600486828500000/223657 | prefLabel | ef:agent/normalize_name_case | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v6 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v7 |
| ef:activity/change/20260822T0600486828500000/237638 | properties | ef:agent/enrich_references | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v7 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v8 |
| ef:activity/change/20260822T0600486828500000/237639 | skos_definition | ef:agent/enrich_references | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v8 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v9 |
| ef:activity/change/20260822T0600486828500000/237640 | references | ef:agent/enrich_references | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v9 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v10 |
| ef:activity/change/20260822T0600486828500000/251319 | properties | ef:agent/rdkit_pre_consensus | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v10 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v11 |
| ef:activity/change/20260822T0600486828500000/264368 | altLabel | ef:agent/consensus_match | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v11 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v12 |
| ef:activity/change/20260822T0600486828500000/264369 | cas_match_labels | ef:agent/consensus_match | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v12 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v13 |
| ef:activity/change/20260822T0600486828500000/283113 | properties | ef:agent/rdkit_post_consensus | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v13 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v14 |
| ef:activity/change/20260822T0600486828500000/292543 | altLabel | ef:agent/dedupe_altlabels | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v14 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v15 |
| ef:activity/change/20260822T0600486828500000/350682 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v15 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v16 |
| ef:activity/change/20260822T0600486828500000/390858 | properties | ef:agent/normalise_property_values | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v16 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v17 |
| ef:activity/change/20260822T0600486828500000/398651 | types | ef:agent/link_flows_to_their_substance | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v17 | ef:flow/96bf93bf-091e-47ae-8688-97933ae01c15/v18 |