Diisopropyl Adipate
Everything that changed this flow. Back to the flow
fabece61-94be-4031-9ee8-6dbeec90549e
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Ceraphyl 230' (trade name), 'NSC 56587' (registry code), 'Wickenol 116' (trade name) |
| 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=diisopropyladipate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6938-94-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19223fa359fb4142: {'6938-94-9': '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 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=['6938-94-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34711']; candidate_pubchem_cids=[23368, 236356]; selected_pubchem_cids=[23368]; 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 |
|---|---|---|---|---|---|
| 20,766 | bootstrap_labels | prefLabel | — | [{"@value":"diisopropyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 20,767 | bootstrap_labels | name | diisopropyl adipate | — | Purged legacy name field to enforce prefLabel usage |
| 20,768 | bootstrap_labels | synonyms | ["organic","diisopropyladipate","docoildipa","dubdipa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 200,328 | 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 |
| 200,329 | 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 |
| 220,046 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,796 | normalize_name_case | prefLabel | [{"@value":"diisopropyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Diisopropyl Adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,312 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,313 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,314 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.488F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['6938-94-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34711']; candidate_pubchem_cids=[23368, 236356]; selected_pubchem_cids=[23368]; 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 |
| 253,837 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | rdkit_pre_consensus from 'CC(C)OC(=O)CCCCC(=O)OC(C)C'; added: monoisotopic_mass |
| 266,010 | consensus_match | altLabel | [] | [{"@value":"Adipic acid, diisopropyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=diisopropyladipate||dimension=Environmental > media=Water > water_body=Ocean; cas=6938-94-9; added Common Chemistry CAS names as altLabel: Adipic acid, diisopropyl ester, Ceraphyl 230, Crodamol DA, Crodamol DA-LQ-(JP), Dermol DIA, FineNeo-DIA, Hexanedioic acid diisopropyl ester, Hexanedioic acid, 1,6-bis(1-methylethyl) ester, Hexanedioic acid, bis(1-methylethyl) ester, Iso Adipat, Isoadipate, Isopropyl adipate, NSC 56587, Nikkol DID, Pelemol DIA, Schercemol DIA, Standamul DIPA, Wickenol 116; object_uuid=fo-19223fa359fb4142 |
| 266,011 | consensus_match | cas_match_labels | — | {"6938-94-9":"exactMatch"} | group_key=diisopropyladipate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6938-94-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19223fa359fb4142: {'6938-94-9': 'exactMatch'} |
| 279,040 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisopropyl Adipate' |
| 285,868 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | rdkit_post_consensus from 'CC(C)OC(=O)CCCCC(=O)OC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,378 | strip_catalogue_altlabels | altLabel | [{"@value":"Adipic acid, diisopropyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"Adipic acid, diisopropyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 3 catalogue altLabel value(s): 'Ceraphyl 230' (trade name), 'NSC 56587' (registry code), 'Wickenol 116' (trade name) |
| 381,198 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fabece61-94be-… | associations resolved on the elementary layer |
| 393,421 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | typed the way the ontology types it |
| 402,369 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/20766 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v0 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v1 |
| ef:activity/change/20260822T0600486828500000/20767 | name | ef:agent/bootstrap_labels | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v1 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v2 |
| ef:activity/change/20260822T0600486828500000/20768 | synonyms | ef:agent/bootstrap_labels | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v2 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v3 |
| ef:activity/change/20260822T0600486828500000/200328 | context | ef:agent/default_context_mapping | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v3 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v4 |
| ef:activity/change/20260822T0600486828500000/200329 | context_iri | ef:agent/default_context_mapping | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v4 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v5 |
| ef:activity/change/20260822T0600486828500000/220046 | unit_iri | ef:agent/unit_normalization | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v5 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v6 |
| ef:activity/change/20260822T0600486828500000/225796 | prefLabel | ef:agent/normalize_name_case | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v6 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v7 |
| ef:activity/change/20260822T0600486828500000/246312 | properties | ef:agent/enrich_references | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v7 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v8 |
| ef:activity/change/20260822T0600486828500000/246313 | skos_definition | ef:agent/enrich_references | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v8 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v9 |
| ef:activity/change/20260822T0600486828500000/246314 | references | ef:agent/enrich_references | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v9 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v10 |
| ef:activity/change/20260822T0600486828500000/253837 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v10 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v11 |
| ef:activity/change/20260822T0600486828500000/266010 | altLabel | ef:agent/consensus_match | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v11 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v12 |
| ef:activity/change/20260822T0600486828500000/266011 | cas_match_labels | ef:agent/consensus_match | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v12 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v13 |
| ef:activity/change/20260822T0600486828500000/279040 | properties | ef:agent/opsin_iupac | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v13 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v14 |
| ef:activity/change/20260822T0600486828500000/285868 | properties | ef:agent/rdkit_post_consensus | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v14 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v15 |
| ef:activity/change/20260822T0600486828500000/291378 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v15 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v16 |
| ef:activity/change/20260822T0600486828500000/381198 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v16 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v17 |
| ef:activity/change/20260822T0600486828500000/393421 | properties | ef:agent/normalise_property_values | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v17 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v18 |
| ef:activity/change/20260822T0600486828500000/402369 | types | ef:agent/link_flows_to_their_substance | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v18 | ef:flow/fabece61-94be-4031-9ee8-6dbeec90549e/v19 |