4,4'-methylenediphenyl Diisocyanate
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a628-0050c2490048
By field
16 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 5 | chebi_altlabels, consensus_match, strip_catalogue_altlabels, strip_cross_object_altlabels, substance_label_v1 | demoted by the substance's name: Methylene Diphenyl Diisocyanate |
| prefLabel | 3 | bootstrap_labels, normalize_name_case, substance_label_v1 | the substance's name: 4,4'-methylenediphenyl Diisocyanate |
| cas_match_labels | 1 | consensus_match | group_key=4,4'-methylenediphenyldiisocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'101-68-8': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-39b0a41bce57a1fc: {'101-68-8': 'exactMatch'} |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| dcterms_is_replaced_by | 1 | pipeline.deduplication | duplicate of 956b5637-0d27-449d-9150-2ba9aeebaf39 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 202-966-0 from CAS 101-68-8 |
| is_replaced_by_uuid | 1 | pipeline.deduplication | duplicate of 956b5637-0d27-449d-9150-2ba9aeebaf39 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| owl_deprecated | 1 | pipeline.deduplication | duplicate of 956b5637-0d27-449d-9150-2ba9aeebaf39 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['101-68-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53218']; candidate_pubchem_cids=[7570, 62450, 3014044, 18673032, 77620797]; selected_pubchem_cids=[7570]; 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
27| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 25,679 | bootstrap_labels | prefLabel | — | [{"@value":"methylene diphenyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 25,680 | bootstrap_labels | name | methylene diphenyl diisocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 25,681 | bootstrap_labels | synonyms | ["1,1'-Methylenebis(4-isocyanatobenzene)","1,1-methylenebis(phenyl)diisocyanate","1-isocyanato-4-[(4-isocyanatophenyl)m… | [] | Removed legacy synonyms field in favor of structured labels |
| 138,576 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 138,577 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 219,494 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,632 | normalize_name_case | prefLabel | [{"@value":"methylene diphenyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Methylene Diphenyl Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,131 | ec_cross_check | ec_numbers | [] | ["202-966-0"] | Resolved from EC-inventory: 202-966-0 from CAS 101-68-8 |
| 244,758 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,759 | enrich_references | skos_definition | — | [{"@value":"A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions.","@lang… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,760 | enrich_references | references | [] | [{"@id":"gmelin:166464","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['101-68-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53218']; candidate_pubchem_cids=[7570, 62450, 3014044, 18673032, 77620797]; selected_pubchem_cids=[7570]; 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 |
| 253,382 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | rdkit_pre_consensus from 'C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O'; added: monoisotopic_mass |
| 257,398 | chebi_altlabels | altLabel | [] | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | Added 41 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,500 | strip_cross_object_altlabels | altLabel | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | Removed 1 altLabel value(s) that duplicate another flow object's prefLabel: "4,4'-Methylenediphenyl diisocyanate" |
| 262,351 | consensus_match | altLabel | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | group_key=4,4'-methylenediphenyldiisocyanate||dimension=Environmental > media=Air > strata=Unknown; cas=101-68-8; added Common Chemistry CAS names as altLabel: 1,1′-Methylenebis[4-isocyanatobenzene], 1-Isocyanato-4-[(4-isocyanatophenyl)methyl]Benzene, 4,4′-Bis(isocyanatophenyl)methane, 4,4′-Diisocyanatodiphenylmethane, 4,4′-Diphenylmethane diisocyanate, 4,4′-MDI, 4,4′-Methylenebis(isocyanatobenzene), 4,4′-Methylenebis(phenyl isocyanate), 4,4′-Methylenebis(phenylisocyanate), 4,4′-Methylenedi(phenyl isocyanate), 4,4′-Methylenedi-<em>p</em>-phenylene diisocyanate, 4,4′-Methylenediphenyl diisocyanate, 4,4′-Methylenediphenylene isocyanate, 8609E, <em>p</em>,<em>p</em>′-Diphenylmethane diisocyanate, <em>p</em>,<em>p</em>′-Methylene diphenyl diisocyanate, <em>p</em>,<em>p</em>′-Methylenebis(phenyl isocyanate), <em>p</em>,<em>p</em>′-Methylenediphenyl diisocyanate, Baydur 18BD 298, Benzene, 1,1′-methylenebis[4-isocyanato-, Bis(isocyanatophenyl)methane, Di(4-isocyanatophenyl)methane, Diisocyanatodiphenylmethane, Diphenylmethane 4,4′-diisocyanate, Diphenylmethylene 4,4′-diisocyanate, Diphenylmethylene diisocyanate, Huntsman 5005, Isocyanic acid, diphenylmethylene ester, Isocyanic acid, methylenedi-<em>p</em>-phenylene ester, Isonat 2000, MDI 1102, MDI 80, MDI 8002, MM 103, Methylbis(4-phenylisocyanate), Methyldi-<em>p</em>-phenylene isocyanate, Methylene diisocyanate, Methylenebis(phenyl isocyanate), Methylenebis-<em>p</em>-phenylene diisocyanate, Methylenebisphenylene diisocyanate, Methylenedi-<em>p</em>-phenylene isocyanate, Methylenediphenylisocyanate, NSC 9596, Sumidur 44S92; object_uuid=fo-39b0a41bce57a1fc |
| 262,352 | consensus_match | cas_match_labels | — | {"101-68-8":"exactMatch"} | group_key=4,4'-methylenediphenyldiisocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'101-68-8': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-39b0a41bce57a1fc: {'101-68-8': 'exactMatch'} |
| 279,736 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1'-Methylenebis(4-isocyanatobenzene)' |
| 286,631 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | 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 |
| 291,853 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | Removed 7 catalogue altLabel value(s): 'Huntsman 5005' (trade name), 'Isonat 2000' (trade name), 'MDI 1102' (grade code), 'MDI 80' (grade code), 'MDI 8002' (grade code), 'MM 103' (grade code), 'NSC 9596' (registry code) |
| 293,873 | pipeline.deduplication | owl_deprecated | — | yes | duplicate of 956b5637-0d27-449d-9150-2ba9aeebaf39 |
| 293,874 | pipeline.deduplication | dcterms_is_replaced_by | — | urn:uuid:956b5637-0d27-449d-9150-2ba9aeebaf39 | duplicate of 956b5637-0d27-449d-9150-2ba9aeebaf39 |
| 293,875 | pipeline.deduplication | is_replaced_by_uuid | — | 956b5637-0d27-449d-9150-2ba9aeebaf39 | duplicate of 956b5637-0d27-449d-9150-2ba9aeebaf39 |
| 394,143 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | typed the way the ontology types it |
| 401,684 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 403,698 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | the substance's answer, copied onto its flow |
| 404,387 | substance_label_v1 | altLabel | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | [{"@value":"1,1'-Methylenebis(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | demoted by the substance's name: Methylene Diphenyl Diisocyanate |
| 404,388 | substance_label_v1 | prefLabel | [{"@value":"Methylene Diphenyl Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"4,4'-methylenediphenyl Diisocyanate","@language":"en","@lang":"en","source":{"prov:wasGeneratedBy":"substan… | the substance's name: 4,4'-methylenediphenyl Diisocyanate |
PROV-O trail
27 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/20260821T1554374006150000/25679 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/25680 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/25681 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/138576 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/138577 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/219494 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/226632 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/227131 | ec_numbers | ef:agent/ec_cross_check | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/244758 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/244759 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/244760 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/253382 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/257398 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/257500 | altLabel | ef:agent/strip_cross_object_altlabels | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/262351 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/262352 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/279736 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/286631 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/291853 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/293873 | owl_deprecated | ef:agent/pipeline.deduplication | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v20 |
| ef:activity/change/20260821T1554374006150000/293874 | dcterms_is_replaced_by | ef:agent/pipeline.deduplication | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v20 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v21 |
| ef:activity/change/20260821T1554374006150000/293875 | is_replaced_by_uuid | ef:agent/pipeline.deduplication | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v21 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v22 |
| ef:activity/change/20260821T1554374006150000/394143 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v22 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v23 |
| ef:activity/change/20260821T1554374006150000/401684 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v23 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v24 |
| ef:activity/change/20260821T1554374006150000/403698 | properties | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v24 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v25 |
| ef:activity/change/20260821T1554374006150000/404387 | altLabel | ef:agent/substance_label_v1 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v25 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v26 |
| ef:activity/change/20260821T1554374006150000/404388 | prefLabel | ef:agent/substance_label_v1 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v26 | ef:flow/fe0acd60-3ddc-11dd-a628-0050c2490048/v27 |