4,4'-methylenediphenyl Diisocyanate
Everything that changed this flow. Back to the flow
4badd7af-6bed-4545-aae1-ac408b700680
By field
13 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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels, strip_cross_object_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) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 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'} |
| 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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,866 | bootstrap_labels | prefLabel | — | [{"@value":"4,4'-methylenediphenyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 18,867 | bootstrap_labels | name | 4,4'-methylenediphenyl diisocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 18,868 | bootstrap_labels | synonyms | ["4,4'","-methylenediphenyldiisocyanate","4,4â??-methylenediphenyldiisocyanate","diphenylmethane-4,4'","-diisoc… | [] | Removed legacy synonyms field in favor of structured labels |
| 86,124 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 86,125 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 219,494 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,385 | normalize_name_case | prefLabel | [{"@value":"4,4'-methylenediphenyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"4,4'-methylenediphenyl Diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 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 |
| 256,842 | 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) |
| 257,465 | 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: 'Methylene diphenyl diisocyanate' |
| 262,350 | 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, Methylene diphenyl 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'} |
| 278,595 | 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 '4,4'-methylenediphenyl Diisocyanate' |
| 285,368 | 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 |
| 291,047 | 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) |
| 324,078 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4badd7af-6bed-… | associations resolved on the elementary layer |
| 392,960 | 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 |
| 401,685 | 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 |
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/20260821T1554374006150000/18866 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v0 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v1 |
| ef:activity/change/20260821T1554374006150000/18867 | name | ef:agent/bootstrap_labels | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v1 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v2 |
| ef:activity/change/20260821T1554374006150000/18868 | synonyms | ef:agent/bootstrap_labels | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v2 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v3 |
| ef:activity/change/20260821T1554374006150000/86124 | context | ef:agent/default_context_mapping | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v3 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v4 |
| ef:activity/change/20260821T1554374006150000/86125 | context_iri | ef:agent/default_context_mapping | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v4 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v5 |
| ef:activity/change/20260821T1554374006150000/219494 | unit_iri | ef:agent/unit_normalization | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v5 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v6 |
| ef:activity/change/20260821T1554374006150000/225385 | prefLabel | ef:agent/normalize_name_case | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v6 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v7 |
| ef:activity/change/20260821T1554374006150000/244758 | properties | ef:agent/enrich_references | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v7 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v8 |
| ef:activity/change/20260821T1554374006150000/244759 | skos_definition | ef:agent/enrich_references | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v8 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v9 |
| ef:activity/change/20260821T1554374006150000/244760 | references | ef:agent/enrich_references | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v9 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v10 |
| ef:activity/change/20260821T1554374006150000/253382 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v10 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v11 |
| ef:activity/change/20260821T1554374006150000/256842 | altLabel | ef:agent/chebi_altlabels | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v11 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v12 |
| ef:activity/change/20260821T1554374006150000/257465 | altLabel | ef:agent/strip_cross_object_altlabels | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v12 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v13 |
| ef:activity/change/20260821T1554374006150000/262350 | altLabel | ef:agent/consensus_match | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v13 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v14 |
| ef:activity/change/20260821T1554374006150000/262352 | cas_match_labels | ef:agent/consensus_match | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v14 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v15 |
| ef:activity/change/20260821T1554374006150000/278595 | properties | ef:agent/opsin_iupac | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v15 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v16 |
| ef:activity/change/20260821T1554374006150000/285368 | properties | ef:agent/rdkit_post_consensus | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v16 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v17 |
| ef:activity/change/20260821T1554374006150000/291047 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v17 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v18 |
| ef:activity/change/20260821T1554374006150000/324078 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v18 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v19 |
| ef:activity/change/20260821T1554374006150000/392960 | properties | ef:agent/normalise_property_values | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v19 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v20 |
| ef:activity/change/20260821T1554374006150000/401684 | types | ef:agent/link_flows_to_their_substance | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v20 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v21 |
| ef:activity/change/20260821T1554374006150000/401685 | properties | ef:agent/link_flows_to_their_substance | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v21 | ef:flow/4badd7af-6bed-4545-aae1-ac408b700680/v22 |