Hexamethylene diisocyanate
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9463-0050c2490048
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): 'CK 164' (grade code), 'N 3390' (grade code), 'NSC 11687' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=822-06-0; cc_chebi_agreed_name='Hexamethylene diisocyanate'; object_uuid=fo-d1c84a2ca4c3ea06 |
| cas_match_labels | 1 | consensus_match | group_key=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'822-06-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d1c84a2ca4c3ea06: {'822-06-0': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['822-06-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53578']; candidate_pubchem_cids=[13192, 2733321]; selected_pubchem_cids=[13192]; 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 |
|---|---|---|---|---|---|
| 7,441 | bootstrap_labels | prefLabel | — | [{"@value":"1,6-hexamethylene diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 7,442 | bootstrap_labels | name | 1,6-hexamethylene diisocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 7,443 | bootstrap_labels | synonyms | ["1,6-Diisocyanatohexane","1,6-Hexanediol diisocyanate","1,6-Hexylene diisocyanate","1,6-hexane diisocyanate","AC1L218C… | [] | Removed legacy synonyms field in favor of structured labels |
| 34,236 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 34,237 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,823 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,820 | normalize_name_case | prefLabel | [{"@value":"1,6-hexamethylene diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"1,6-hexamethylene Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 234,305 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,306 | enrich_references | skos_definition | — | [{"@value":"A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.","@language":"en","prov… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,307 | enrich_references | references | [] | [{"@id":"gmelin:50636","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['822-06-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53578']; candidate_pubchem_cids=[13192, 2733321]; selected_pubchem_cids=[13192]; 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 |
| 250,368 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | rdkit_pre_consensus from 'C(CCCN=C=O)CCN=C=O'; added: monoisotopic_mass |
| 255,359 | chebi_altlabels | altLabel | [] | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,744 | consensus_match | prefLabel | [{"@value":"1,6-hexamethylene Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Hexamethylene diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | cas=822-06-0; cc_chebi_agreed_name='Hexamethylene diisocyanate'; object_uuid=fo-d1c84a2ca4c3ea06 |
| 258,745 | consensus_match | altLabel | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | cas=822-06-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-d1c84a2ca4c3ea06 |
| 258,746 | consensus_match | altLabel | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; cas=822-06-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanatohexamethylene, 1,6-Hexane diisocyanate, CK 164, Coronate HDI, GMDI, H 106273, HMNCO, HXT, Hexane, 1,6-diisocyanato-, Isocyanic acid, hexamethylene ester, N 3390, NSC 11687; object_uuid=fo-d1c84a2ca4c3ea06 |
| 258,747 | consensus_match | cas_match_labels | — | {"822-06-0":"exactMatch"} | group_key=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'822-06-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d1c84a2ca4c3ea06: {'822-06-0': 'exactMatch'} |
| 275,527 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexamethylene diisocyanate' |
| 282,048 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | rdkit_post_consensus from 'O=C=NCCCCCCN=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,789 | strip_catalogue_altlabels | altLabel | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1,6-Diisocyanatohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 3 catalogue altLabel value(s): 'CK 164' (grade code), 'N 3390' (grade code), 'NSC 11687' (registry code) |
| 298,152 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,838 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2O2"… | typed the way the ontology types it |
| 397,184 | 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/20260822T0600486828500000/7441 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/7442 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/7443 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/34236 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/34237 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/215823 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/222820 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/234305 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/234306 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/234307 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/250368 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/255359 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/258744 | prefLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/258745 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/258746 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/258747 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/275527 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/282048 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/288789 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/298152 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v20 |
| ef:activity/change/20260822T0600486828500000/389838 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v20 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v21 |
| ef:activity/change/20260822T0600486828500000/397184 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v21 | ef:flow/08a91e70-3ddc-11dd-9463-0050c2490048/v22 |