4-methylbenzenesulfonyl Isocyanate
Everything that changed this flow. Back to the flow
01ec9866-a496-40ea-be5a-f8591e21bcc5
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 |
| 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-methylbenzenesulfonylisocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4083-64-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8e9d74e99db88bd1: {'4083-64-1': '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 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=['4083-64-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[77703, 107859]; selected_pubchem_cids=[77703]; 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 |
|---|---|---|---|---|---|
| 1,600 | bootstrap_labels | prefLabel | — | [{"@value":"4-methylbenzenesulfonyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Bootstrapped prefLabel from legacy name field |
| 1,601 | bootstrap_labels | name | 4-methylbenzenesulfonyl isocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 1,602 | bootstrap_labels | synonyms | ["organic","4-isocyanatosulphonyltoluene","p-toluenesulphonylisocyanate","tosylisocyanate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 27,016 | 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 |
| 27,017 | 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 |
| 213,877 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,466 | normalize_name_case | prefLabel | [{"@value":"4-methylbenzenesulfonyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | [{"@value":"4-methylbenzenesulfonyl Isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,727 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,728 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,729 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J195C","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['4083-64-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[77703, 107859]; selected_pubchem_cids=[77703]; 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 |
| 248,767 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)S(=O)(=O)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 262,843 | consensus_match | altLabel | [] | [{"@value":"4-Methylbenzene-1-sulfonyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=4-methylbenzenesulfonylisocyanate||dimension=Environmental > media=Air > indoor=Unknown; cas=4083-64-1; added Common Chemistry CAS names as altLabel: 4-Methylbenzene-1-sulfonyl isocyanate, 4-Methylphenylsulfonyl isocyanate, 4-Toluenesulfonyl isocyanate, 4-Toluolsulfonyl isocyanate, <em>p</em>-Methylbenzenesulfonyl isocyanate, <em>p</em>-Methylphenylsulfonyl isocyanate, <em>p</em>-Toluenesulfonic acid, anhydride with isocyanic acid, <em>p</em>-Toluenesulfonyl isocyanate, <em>p</em>-Tosyl isocyanate, Additive TI, Benzenesulfonyl isocyanate, 4-methyl-, Dow TI, HK-additive TI, Isocyanic acid, anhydride with <em>p</em>-toluenesulfonic acid, PTSI, Toluenesulfonyl isocyanate, Tosyl isocyanate; object_uuid=fo-8e9d74e99db88bd1 |
| 262,844 | consensus_match | cas_match_labels | — | {"4083-64-1":"exactMatch"} | group_key=4-methylbenzenesulfonylisocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4083-64-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8e9d74e99db88bd1: {'4083-64-1': 'exactMatch'} |
| 273,907 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-methylbenzenesulfonyl Isocyanate' |
| 280,297 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | rdkit_post_consensus from 'Cc1ccc(S(=O)(=O)N=C=O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,067 | dedupe_altlabels | altLabel | [{"@value":"4-Methylbenzene-1-sulfonyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | [{"@value":"4-Methylbenzene-1-sulfonyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | Deduplicated altLabel values and removed entries matching prefLabel |
| 294,574 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/01ec9866-a496-… | associations resolved on the elementary layer |
| 388,195 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO3S"]… | typed the way the ontology types it |
| 394,819 | 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/20260820T1555490862250000/1600 | prefLabel | ef:agent/bootstrap_labels | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v0 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v1 |
| ef:activity/change/20260820T1555490862250000/1601 | name | ef:agent/bootstrap_labels | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v1 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v2 |
| ef:activity/change/20260820T1555490862250000/1602 | synonyms | ef:agent/bootstrap_labels | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v2 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v3 |
| ef:activity/change/20260820T1555490862250000/27016 | context | ef:agent/default_context_mapping | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v3 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v4 |
| ef:activity/change/20260820T1555490862250000/27017 | context_iri | ef:agent/default_context_mapping | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v4 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v5 |
| ef:activity/change/20260820T1555490862250000/213877 | unit_iri | ef:agent/unit_normalization | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v5 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v6 |
| ef:activity/change/20260820T1555490862250000/221466 | prefLabel | ef:agent/normalize_name_case | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v6 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v7 |
| ef:activity/change/20260820T1555490862250000/228727 | properties | ef:agent/enrich_references | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v7 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v8 |
| ef:activity/change/20260820T1555490862250000/228728 | skos_definition | ef:agent/enrich_references | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v8 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v9 |
| ef:activity/change/20260820T1555490862250000/228729 | references | ef:agent/enrich_references | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v9 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v10 |
| ef:activity/change/20260820T1555490862250000/248767 | properties | ef:agent/rdkit_pre_consensus | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v10 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v11 |
| ef:activity/change/20260820T1555490862250000/262843 | altLabel | ef:agent/consensus_match | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v11 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v12 |
| ef:activity/change/20260820T1555490862250000/262844 | cas_match_labels | ef:agent/consensus_match | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v12 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v13 |
| ef:activity/change/20260820T1555490862250000/273907 | properties | ef:agent/opsin_iupac | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v13 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v14 |
| ef:activity/change/20260820T1555490862250000/280297 | properties | ef:agent/rdkit_post_consensus | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v14 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v15 |
| ef:activity/change/20260820T1555490862250000/292067 | altLabel | ef:agent/dedupe_altlabels | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v15 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v16 |
| ef:activity/change/20260820T1555490862250000/294574 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v16 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v17 |
| ef:activity/change/20260820T1555490862250000/388195 | properties | ef:agent/normalise_property_values | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v17 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v18 |
| ef:activity/change/20260820T1555490862250000/394819 | types | ef:agent/link_flows_to_their_substance | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v18 | ef:flow/01ec9866-a496-40ea-be5a-f8591e21bcc5/v19 |