Toluene 2,4-diisocyanate
Everything that changed this flow. Back to the flow
595d5d33-4f15-417c-ba8a-aa552f17f93b
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 4791' (registry code), 'NSC 56759' (registry code), 'TDI 100' (grade code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=584-84-9; cc_chebi_agreed_name='Toluene 2,4-diisocyanate'; object_uuid=fo-e74b0f043abc9856 |
| cas_match_labels | 1 | consensus_match | group_key=4-methyl-m-phenylenediisocyanate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-84-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e74b0f043abc9856: {'584-84-9': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['584-84-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53556']; candidate_pubchem_cids=[7040, 11443]; selected_pubchem_cids=[11443]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,544 | bootstrap_labels | prefLabel | — | [{"@value":"4-methyl-m-phenylene diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 6,545 | bootstrap_labels | name | 4-methyl-m-phenylene diisocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 21,603 | bootstrap_labels | synonyms | ["4-methyl-m-phenylenediisocyanate","toluene-2,6-di-isocyanate","toluene, 2-, diisocyanate","toluene-2,4-diisocyanate",… | [] | Removed legacy synonyms field in favor of structured labels |
| 102,892 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 102,893 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,525 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,596 | normalize_name_case | prefLabel | [{"@value":"4-methyl-m-phenylene diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"4-methyl-m-phenylene Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,462 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,463 | enrich_references | skos_definition | — | [{"@value":"A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,464 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.302B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['584-84-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53556']; candidate_pubchem_cids=[7040, 11443]; selected_pubchem_cids=[11443]; 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 |
| 250,126 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)N=C=O)N=C=O'; added: monoisotopic_mass |
| 255,182 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,811 | consensus_match | prefLabel | [{"@value":"4-methyl-m-phenylene Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Toluene 2,4-diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | cas=584-84-9; cc_chebi_agreed_name='Toluene 2,4-diisocyanate'; object_uuid=fo-e74b0f043abc9856 |
| 262,812 | consensus_match | altLabel | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | cas=584-84-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-e74b0f043abc9856 |
| 262,813 | consensus_match | altLabel | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=4-methyl-m-phenylenediisocyanate||dimension=Environmental > media=Air > strata=Long-term; cas=584-84-9; added Common Chemistry CAS names as altLabel: 1,3-Diisocyanato-4-methylbenzene, 2,4-Toluylene diisocyanate, 4-Methyl-1,3-Diisocyanatobenzene, 4-Methyl-1,3-phenylene diisocyanate, 4-Methyl-<em>m</em>-phenylene isocyanate, 4-Methylbenzene-1,3-diyl diisocyanate, Benzene, 2,4-diisocyanato-1-methyl-, MeSH ID: D014051, NSC 4791, NSC 56759, TDI 100, TDI T 100; object_uuid=fo-e74b0f043abc9856 |
| 262,814 | consensus_match | cas_match_labels | — | {"584-84-9":"exactMatch"} | group_key=4-methyl-m-phenylenediisocyanate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-84-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e74b0f043abc9856: {'584-84-9': 'exactMatch'} |
| 275,264 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-Diisocyanatotoluene' |
| 281,770 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | rdkit_post_consensus from 'Cc1ccc(N=C=O)cc1N=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,589 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2,4-Diisocyanatotoluene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 3 catalogue altLabel value(s): 'NSC 4791' (registry code), 'NSC 56759' (registry code), 'TDI 100' (grade code) |
| 332,443 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/595d5d33-4f15-… | associations resolved on the elementary layer |
| 389,566 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2O2"]… | typed the way the ontology types it |
| 396,774 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260821T1554374006150000/6544 | prefLabel | ef:agent/bootstrap_labels | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v0 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v1 |
| ef:activity/change/20260821T1554374006150000/6545 | name | ef:agent/bootstrap_labels | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v1 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v2 |
| ef:activity/change/20260821T1554374006150000/21603 | synonyms | ef:agent/bootstrap_labels | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v2 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v3 |
| ef:activity/change/20260821T1554374006150000/102892 | context | ef:agent/default_context_mapping | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v3 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v4 |
| ef:activity/change/20260821T1554374006150000/102893 | context_iri | ef:agent/default_context_mapping | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v4 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v5 |
| ef:activity/change/20260821T1554374006150000/215525 | unit_iri | ef:agent/unit_normalization | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v5 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v6 |
| ef:activity/change/20260821T1554374006150000/222596 | prefLabel | ef:agent/normalize_name_case | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v6 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v7 |
| ef:activity/change/20260821T1554374006150000/233462 | properties | ef:agent/enrich_references | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v7 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v8 |
| ef:activity/change/20260821T1554374006150000/233463 | skos_definition | ef:agent/enrich_references | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v8 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v9 |
| ef:activity/change/20260821T1554374006150000/233464 | references | ef:agent/enrich_references | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v9 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v10 |
| ef:activity/change/20260821T1554374006150000/250126 | properties | ef:agent/rdkit_pre_consensus | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v10 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v11 |
| ef:activity/change/20260821T1554374006150000/255182 | altLabel | ef:agent/chebi_altlabels | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v11 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v12 |
| ef:activity/change/20260821T1554374006150000/262811 | prefLabel | ef:agent/consensus_match | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v12 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v13 |
| ef:activity/change/20260821T1554374006150000/262812 | altLabel | ef:agent/consensus_match | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v13 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v14 |
| ef:activity/change/20260821T1554374006150000/262813 | altLabel | ef:agent/consensus_match | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v14 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v15 |
| ef:activity/change/20260821T1554374006150000/262814 | cas_match_labels | ef:agent/consensus_match | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v15 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v16 |
| ef:activity/change/20260821T1554374006150000/275264 | properties | ef:agent/opsin_iupac | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v16 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v17 |
| ef:activity/change/20260821T1554374006150000/281770 | properties | ef:agent/rdkit_post_consensus | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v17 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v18 |
| ef:activity/change/20260821T1554374006150000/288589 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v18 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v19 |
| ef:activity/change/20260821T1554374006150000/332443 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v19 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v20 |
| ef:activity/change/20260821T1554374006150000/389566 | properties | ef:agent/normalise_property_values | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v20 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v21 |
| ef:activity/change/20260821T1554374006150000/396774 | types | ef:agent/link_flows_to_their_substance | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v21 | ef:flow/595d5d33-4f15-417c-ba8a-aa552f17f93b/v22 |