2,4-diisocyanato-1,3,5-triisopropylbenzene
Everything that changed this flow. Back to the flow
952724b4-aeba-42ac-bb5e-8e1d9b4cd788
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2,4-diisocyanato-1,3,5-triisopropylbenzene||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'2162-73-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b1c61d15fb38e683: {'2162-73-4': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 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=['2162-73-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[75099, 277422]; selected_pubchem_cids=[75099]; 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 |
|---|---|---|---|---|---|
| 19,275 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-diisocyanato-1,3,5-triisopropylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 19,276 | bootstrap_labels | name | 2,4-diisocyanato-1,3,5-triisopropylbenzene | — | Purged legacy name field to enforce prefLabel usage |
| 19,277 | bootstrap_labels | synonyms | ["organic","2,4,6-triisopropyl-m-phenylenediisocyanate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 138,422 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 138,423 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 219,618 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,111 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,112 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,113 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J299.127F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['2162-73-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[75099, 277422]; selected_pubchem_cids=[75099]; 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 |
| 253,483 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | rdkit_pre_consensus from 'CC(C)C1=CC(=C(C(=C1N=C=O)C(C)C)N=C=O)C(C)C'; added: molecular_mass, monoisotopic_mass |
| 259,954 | consensus_match | altLabel | [] | [{"@value":"1,3,5-Triisopropylbenzene 2,4-diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=2,4-diisocyanato-1,3,5-triisopropylbenzene||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=2162-73-4; added Common Chemistry CAS names as altLabel: 1,3,5-Triisopropylbenzene 2,4-diisocyanate, 2,4,6-Triisopropyl-<em>m</em>-phenylene diisocyanate, 2,4,6-Triisopropyl-<em>m</em>-phenylene isocyanate, 2,4-Diisocyanato-1,3,5-tris(1-methylethyl)benzene, Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, Isocyanic acid, 2,4,6-triisopropyl-<em>m</em>-phenylene ester; object_uuid=fo-b1c61d15fb38e683 |
| 259,955 | consensus_match | cas_match_labels | — | {"2162-73-4":"exactMatch"} | group_key=2,4-diisocyanato-1,3,5-triisopropylbenzene||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'2162-73-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b1c61d15fb38e683: {'2162-73-4': 'exactMatch'} |
| 278,697 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-diisocyanato-1,3,5-triisopropylbenzene' |
| 285,478 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | rdkit_post_consensus from 'CC(C)c1cc(C(C)C)c(N=C=O)c(C(C)C)c1N=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,022 | dedupe_altlabels | altLabel | [{"@value":"1,3,5-Triisopropylbenzene 2,4-diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | [{"@value":"1,3,5-Triisopropylbenzene 2,4-diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Deduplicated altLabel values and removed entries matching prefLabel |
| 350,210 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/952724b4-aeba-… | associations resolved on the elementary layer |
| 393,064 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H22N2O2… | typed the way the ontology types it |
| 401,831 | 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/20260821T1122181958110000/19275 | prefLabel | ef:agent/bootstrap_labels | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v0 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v1 |
| ef:activity/change/20260821T1122181958110000/19276 | name | ef:agent/bootstrap_labels | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v1 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v2 |
| ef:activity/change/20260821T1122181958110000/19277 | synonyms | ef:agent/bootstrap_labels | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v2 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v3 |
| ef:activity/change/20260821T1122181958110000/138422 | context | ef:agent/default_context_mapping | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v3 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v4 |
| ef:activity/change/20260821T1122181958110000/138423 | context_iri | ef:agent/default_context_mapping | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v4 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v5 |
| ef:activity/change/20260821T1122181958110000/219618 | unit_iri | ef:agent/unit_normalization | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v5 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v6 |
| ef:activity/change/20260821T1122181958110000/245111 | properties | ef:agent/enrich_references | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v6 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v7 |
| ef:activity/change/20260821T1122181958110000/245112 | skos_definition | ef:agent/enrich_references | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v7 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v8 |
| ef:activity/change/20260821T1122181958110000/245113 | references | ef:agent/enrich_references | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v8 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v9 |
| ef:activity/change/20260821T1122181958110000/253483 | properties | ef:agent/rdkit_pre_consensus | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v9 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v10 |
| ef:activity/change/20260821T1122181958110000/259954 | altLabel | ef:agent/consensus_match | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v10 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v11 |
| ef:activity/change/20260821T1122181958110000/259955 | cas_match_labels | ef:agent/consensus_match | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v11 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v12 |
| ef:activity/change/20260821T1122181958110000/278697 | properties | ef:agent/opsin_iupac | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v12 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v13 |
| ef:activity/change/20260821T1122181958110000/285478 | properties | ef:agent/rdkit_post_consensus | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v13 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v14 |
| ef:activity/change/20260821T1122181958110000/293022 | altLabel | ef:agent/dedupe_altlabels | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v14 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v15 |
| ef:activity/change/20260821T1122181958110000/350210 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v15 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v16 |
| ef:activity/change/20260821T1122181958110000/393064 | properties | ef:agent/normalise_property_values | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v16 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v17 |
| ef:activity/change/20260821T1122181958110000/401831 | types | ef:agent/link_flows_to_their_substance | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v17 | ef:flow/952724b4-aeba-42ac-bb5e-8e1d9b4cd788/v18 |