1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene
Everything that changed this flow. Back to the flow
87e306e9-078f-4cf5-969a-89f732ef10c4
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 2 catalogue altLabel value(s): 'NSC 9599' (registry code), 'Nacconate 200' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'91-97-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b81b69a84d1fd304: {'91-97-4': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['91-97-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7072, 124804]; selected_pubchem_cids=[7072]; 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 |
|---|---|---|---|---|---|
| 22,337 | bootstrap_labels | prefLabel | — | [{"@value":"1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 22,338 | bootstrap_labels | name | 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene | — | Purged legacy name field to enforce prefLabel usage |
| 22,339 | bootstrap_labels | synonyms | ["organic","3,3'","-dimethylbiphenyl-4,4'","-diyldiisocyanate","todi"] | [] | Removed legacy synonyms field in favor of structured labels |
| 130,564 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 130,565 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 220,439 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 247,377 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,378 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,379 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.830G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['91-97-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7072, 124804]; selected_pubchem_cids=[7072]; 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 |
| 254,143 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | rdkit_pre_consensus from 'CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 259,186 | consensus_match | altLabel | [] | [{"@value":"1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; cas=91-97-4; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-, 1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene, 3,3′-Bitolylene-4,4′-diisocyanate, 3,3′-Dimethyl-4,4′-biphenylene diisocyanate, 3,3′-Dimethyl-4,4′-biphenylene isocyanate, 3,3′-Dimethyl-4,4′-biphenylylene diisocyanate, 3,3′-Dimethyl-4,4′-diisocyanatobiphenyl, 3,3′-Dimethyl-4,4′-diphenylene diisocyanate, 3,3′-Dimethylbiphenyl 4,4′-diisocyanate, 4,4′-Diisocyanato-3,3-dimethylbiphenyl, 4,4′-Diisocyanato-3,3′-bitolyl, 4,4′-Diisocyanato-3,3′-dimethyl-1,1′-biphenyl, 4,4′-Diisocyanato-3,3′-dimethylbiphenyl, 4,4′-Diisocyanato-3,3′-dimethyldiphenyl, <em>o</em>-Tolidine diisocyanate, Bitolylene diisocyanate, Isocyanic acid, 3,3′-dimethyl-4,4′-biphenylylene ester, NSC 9599, Nacconate 200, TODI; object_uuid=fo-b81b69a84d1fd304 |
| 259,187 | consensus_match | cas_match_labels | — | {"91-97-4":"exactMatch"} | group_key=1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'91-97-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b81b69a84d1fd304: {'91-97-4': 'exactMatch'} |
| 279,340 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene' |
| 286,215 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | rdkit_post_consensus from 'Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,580 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | [{"@value":"1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Removed 2 catalogue altLabel value(s): 'NSC 9599' (registry code), 'Nacconate 200' (trade name) |
| 346,275 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/87e306e9-078f-… | associations resolved on the elementary layer |
| 393,730 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O2… | typed the way the ontology types it |
| 402,889 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T1812399309960000/22337 | prefLabel | ef:agent/bootstrap_labels | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v0 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v1 |
| ef:activity/change/20260820T1812399309960000/22338 | name | ef:agent/bootstrap_labels | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v1 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v2 |
| ef:activity/change/20260820T1812399309960000/22339 | synonyms | ef:agent/bootstrap_labels | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v2 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v3 |
| ef:activity/change/20260820T1812399309960000/130564 | context | ef:agent/default_context_mapping | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v3 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v4 |
| ef:activity/change/20260820T1812399309960000/130565 | context_iri | ef:agent/default_context_mapping | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v4 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v5 |
| ef:activity/change/20260820T1812399309960000/220439 | unit_iri | ef:agent/unit_normalization | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v5 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v6 |
| ef:activity/change/20260820T1812399309960000/247377 | properties | ef:agent/enrich_references | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v6 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v7 |
| ef:activity/change/20260820T1812399309960000/247378 | skos_definition | ef:agent/enrich_references | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v7 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v8 |
| ef:activity/change/20260820T1812399309960000/247379 | references | ef:agent/enrich_references | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v8 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v9 |
| ef:activity/change/20260820T1812399309960000/254143 | properties | ef:agent/rdkit_pre_consensus | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v9 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v10 |
| ef:activity/change/20260820T1812399309960000/259186 | altLabel | ef:agent/consensus_match | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v10 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v11 |
| ef:activity/change/20260820T1812399309960000/259187 | cas_match_labels | ef:agent/consensus_match | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v11 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v12 |
| ef:activity/change/20260820T1812399309960000/279340 | properties | ef:agent/opsin_iupac | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v12 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v13 |
| ef:activity/change/20260820T1812399309960000/286215 | properties | ef:agent/rdkit_post_consensus | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v13 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v14 |
| ef:activity/change/20260820T1812399309960000/291580 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v14 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v15 |
| ef:activity/change/20260820T1812399309960000/346275 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v15 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v16 |
| ef:activity/change/20260820T1812399309960000/393730 | properties | ef:agent/normalise_property_values | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v16 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v17 |
| ef:activity/change/20260820T1812399309960000/402889 | types | ef:agent/link_flows_to_their_substance | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v17 | ef:flow/87e306e9-078f-4cf5-969a-89f732ef10c4/v18 |