1,1-methylenebis[4-isocyanato-cyclohexane]
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9b51-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=1,1-methylenebis[4-isocyanato-cyclohexane]||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'5124-30-1': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-146f443800a785c7: {'5124-30-1': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea 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=['5124-30-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53216']; candidate_pubchem_cids=[21202, 272207, 286110]; selected_pubchem_cids=[21202]; 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 |
|---|---|---|---|---|---|
| 8,361 | bootstrap_labels | prefLabel | — | [{"@value":"1,1-methylenebis[4-isocyanato-cyclohexane]","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 8,362 | bootstrap_labels | name | 1,1-methylenebis[4-isocyanato-cyclohexane] | — | Purged legacy name field to enforce prefLabel usage |
| 8,363 | bootstrap_labels | synonyms | ["1,1'-METHYLENEBIS(4-ISOCYANATOCYCLOHEXANE)","1,1-Methylene bis(4-isocyanatocyclohexane)","1,1-Methylenebis(4-isocyana… | [] | Removed legacy synonyms field in favor of structured labels |
| 37,668 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 37,669 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 216,122 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 235,169 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,170 | enrich_references | skos_definition | — | [{"@value":"A diisocyanate consisting of dicyclohexylmethane with two isocyanate groups at the 4- and 4'-positions.","@… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,171 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.045.774B","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['5124-30-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53216']; candidate_pubchem_cids=[21202, 272207, 286110]; selected_pubchem_cids=[21202]; 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 |
| 250,610 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | rdkit_pre_consensus from 'C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O'; added: monoisotopic_mass |
| 255,545 | chebi_altlabels | altLabel | [] | [{"@value":"1,1'-methylenebis(4-isocyanatocyclohexane)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,229 | consensus_match | altLabel | [{"@value":"1,1'-methylenebis(4-isocyanatocyclohexane)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"1,1'-methylenebis(4-isocyanatocyclohexane)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | group_key=1,1-methylenebis[4-isocyanato-cyclohexane]||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=5124-30-1; added Common Chemistry CAS names as altLabel: 1,1-Methylene bis(4-isocyanatocyclohexane), 1,1′-Methylenebis[4-isocyanatocyclohexane], 1-Isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane, 4,4′-(Methylene)di(isocyanatocyclohexane), 4,4′-Cyclohexylmethanediisocyanate, 4,4′-Di(isocyanatocyclohexyl)methane, 4,4′-Dicyclohexylmethylene diisocyanate, 4,4′-Diisocyanatodicyclohexylmethane, 4,4′-Methylenebis(4-cyclohexylisocyanate), 4,4′-Methylenebis(cyclohexane isocyanate), 4,4′-Methylenebis(cyclohexyl isocyanate), 4,4′-Methylenedicyclohexyl diisocyanate, 4,4′-Methylenedicyclohexylene diisocyanate, Cyclohexane, 1,1′-methylenebis[4-isocyanato-, Dicyclohexylmethane 4,4′-diisocyanate, H<sub>12</sub>MDI, Hydrogenated 4,4′-MDI, Hydrogenated 4,4′-diphenylmethane diisocyanate, Hydrogenated diphenylmethane diisocyanate, Isocyanic acid, methylenedi-1,4-cyclohexylene ester, Methane, bis(4-isocyanatocyclohexyl)-, Methylene bis(<em>p</em>-cyclohexyl isocyanate), Methylenebis(1,4-cyclohexylene) diisocyanate, Methylenebis(4-cyclohexyl isocyanate), Methylenebis(4-isocyanatocyclohexane), Methylenedi-1,4-cyclohexylene isocyanate, Methylenedi-4,1-cyclohexylene isocyanate, Methylenedi-4-cyclohexylene diisocyanate, Methylenedicyclohexane-4,4′-diisocyanate, Methylenedicyclohexylene-4,4′-diisocyanate, Perhydrodiphenylmethane-4,4′-diisocyanate; object_uuid=fo-146f443800a785c7 |
| 258,230 | consensus_match | cas_match_labels | — | {"5124-30-1":"exactMatch"} | group_key=1,1-methylenebis[4-isocyanato-cyclohexane]||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'5124-30-1': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-146f443800a785c7: {'5124-30-1': 'exactMatch'} |
| 275,775 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1'-methylenebis(4-isocyanatocyclohexane)' |
| 282,329 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | rdkit_post_consensus from 'O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,388 | dedupe_altlabels | altLabel | [{"@value":"1,1'-methylenebis(4-isocyanatocyclohexane)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"1,1'-methylenebis(4-isocyanatocyclohexane)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Deduplicated altLabel values and removed entries matching prefLabel |
| 299,853 | 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 |
| 390,110 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H22N2O2… | typed the way the ontology types it |
| 397,589 | 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/20260820T1812399309960000/8361 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v1 |
| ef:activity/change/20260820T1812399309960000/8362 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v2 |
| ef:activity/change/20260820T1812399309960000/8363 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v3 |
| ef:activity/change/20260820T1812399309960000/37668 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v4 |
| ef:activity/change/20260820T1812399309960000/37669 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v5 |
| ef:activity/change/20260820T1812399309960000/216122 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v6 |
| ef:activity/change/20260820T1812399309960000/235169 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v7 |
| ef:activity/change/20260820T1812399309960000/235170 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v8 |
| ef:activity/change/20260820T1812399309960000/235171 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v9 |
| ef:activity/change/20260820T1812399309960000/250610 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v10 |
| ef:activity/change/20260820T1812399309960000/255545 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v11 |
| ef:activity/change/20260820T1812399309960000/258229 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v12 |
| ef:activity/change/20260820T1812399309960000/258230 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v13 |
| ef:activity/change/20260820T1812399309960000/275775 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v14 |
| ef:activity/change/20260820T1812399309960000/282329 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v15 |
| ef:activity/change/20260820T1812399309960000/292388 | altLabel | ef:agent/dedupe_altlabels | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v16 |
| ef:activity/change/20260820T1812399309960000/299853 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v17 |
| ef:activity/change/20260820T1812399309960000/390110 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v18 |
| ef:activity/change/20260820T1812399309960000/397589 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9b51-0050c2490048/v19 |