4-methylbenzenesulfonic Acid
Everything that changed this flow. Back to the flow
08e4055a-b43c-4899-a3a8-eba332b8379f
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, strip_catalogue_altlabels | Removed 17 catalogue altLabel value(s): 'AD 3302W' (grade code), 'C 250' (grade code), 'Cycat 4040' (trade name), 'Cycat 602' (trade name), 'Cyzac 4040' (trade name), 'Dryer 900' (trade name), 'KC 1040' (grade code), 'KCG 3553' (grade code), 'NSC 167068' (registry code), 'NSC 2167' (registry code), 'Nacure 1040' (trade name), 'PS 80' (grade code), 'PS 80 (sulfonic acid)' (grade code), 'PTS 100' (grade code), 'PTS 70' (grade code), 'TSA 95' (grade code), 'Taycatox 300' (trade name) |
| 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-methylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'104-15-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac93a0402feea609: {'104-15-4': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['104-15-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27849']; candidate_pubchem_cids=[6101, 7371, 85570, 329983, 521998, 20307553]; selected_pubchem_cids=[6101]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,270 | bootstrap_labels | prefLabel | — | [{"@value":"4-methylbenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 9,271 | bootstrap_labels | name | 4-methylbenzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 9,272 | bootstrap_labels | synonyms | ["organic","p-toluenesulphonicacid(containingamaximumof5â %h2so4)","toluene-4-sulphonicacid","p-toluenesulfonicacid","t… | [] | Removed legacy synonyms field in favor of structured labels |
| 41,823 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 41,824 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,426 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,282 | normalize_name_case | prefLabel | [{"@value":"4-methylbenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"4-methylbenzenesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,054 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,055 | enrich_references | skos_definition | — | [{"@value":"An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a met… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,056 | enrich_references | references | [] | [{"@id":"beilstein:472690","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['104-15-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27849']; candidate_pubchem_cids=[6101, 7371, 85570, 329983, 521998, 20307553]; selected_pubchem_cids=[6101]; 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 |
| 250,872 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)S(=O)(=O)O'; added: monoisotopic_mass |
| 255,729 | chebi_altlabels | altLabel | [] | [{"@value":"4-toluenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,826 | consensus_match | altLabel | [{"@value":"4-toluenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"4-toluenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=4-methylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=104-15-4; added Common Chemistry CAS names as altLabel: 1-Methyl-4-(sulfosulfonyl)benzene, 4-Methyl-benzensulfonic acid, 4-Methylbenzene-1-sulfonic acid, AD 3302W, Activator 100T3, Aktivator 100 SR, Benzenesulfonic acid, 4-methyl-, Benzenesulfonic acid, 4-methyl-, conjugate acid (1:1), C 250, CAT-PS 80, Cat 51-53, Cycat 4040, Cycat 602, Cyzac 4040, Dryer 900, K-Cure 1040, KC 1040, KCG 3553, MeSH ID: D014105, Methylbenzenesulfonic acid, NSC 167068, NSC 2167, Nacure 1040, Neocat C 4, PS 80, PS 80 (sulfonic acid), PTS 100, PTS 70, PTS-M 7000, PTS-MT 70, TSA 95, Taycacure AC 700, Taycacure AC 707, Taycatox 300, Toluenesulfonic acid, TsOH, p-Tsoh; object_uuid=fo-ac93a0402feea609 |
| 262,827 | consensus_match | cas_match_labels | — | {"104-15-4":"exactMatch"} | group_key=4-methylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'104-15-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac93a0402feea609: {'104-15-4': 'exactMatch'} |
| 276,061 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-methylbenzenesulfonic Acid' |
| 282,632 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | rdkit_post_consensus from 'Cc1ccc(S(=O)(=O)O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,214 | strip_catalogue_altlabels | altLabel | [{"@value":"4-toluenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"4-toluenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 17 catalogue altLabel value(s): 'AD 3302W' (grade code), 'C 250' (grade code), 'Cycat 4040' (trade name), 'Cycat 602' (trade name), 'Cyzac 4040' (trade name), 'Dryer 900' (trade name), 'KC 1040' (grade code), 'KCG 3553' (grade code), 'NSC 167068' (registry code), 'NSC 2167' (registry code), 'Nacure 1040' (trade name), 'PS 80' (grade code), 'PS 80 (sulfonic acid)' (grade code), 'PTS 100' (grade code), 'PTS 70' (grade code), 'TSA 95' (grade code), 'Taycatox 300' (trade name) |
| 301,977 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08e4055a-b43c-… | associations resolved on the elementary layer |
| 390,430 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8O3S"],… | typed the way the ontology types it |
| 398,021 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20261019T0712047113160000/9270 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v0 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v1 |
| ef:activity/change/20261019T0712047113160000/9271 | name | ef:agent/bootstrap_labels | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v1 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v2 |
| ef:activity/change/20261019T0712047113160000/9272 | synonyms | ef:agent/bootstrap_labels | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v2 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v3 |
| ef:activity/change/20261019T0712047113160000/41823 | context | ef:agent/default_context_mapping | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v3 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v4 |
| ef:activity/change/20261019T0712047113160000/41824 | context_iri | ef:agent/default_context_mapping | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v4 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v5 |
| ef:activity/change/20261019T0712047113160000/216426 | unit_iri | ef:agent/unit_normalization | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v5 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v6 |
| ef:activity/change/20261019T0712047113160000/223282 | prefLabel | ef:agent/normalize_name_case | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v6 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v7 |
| ef:activity/change/20261019T0712047113160000/236054 | properties | ef:agent/enrich_references | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v7 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v8 |
| ef:activity/change/20261019T0712047113160000/236055 | skos_definition | ef:agent/enrich_references | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v8 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v9 |
| ef:activity/change/20261019T0712047113160000/236056 | references | ef:agent/enrich_references | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v9 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v10 |
| ef:activity/change/20261019T0712047113160000/250872 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v10 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v11 |
| ef:activity/change/20261019T0712047113160000/255729 | altLabel | ef:agent/chebi_altlabels | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v11 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v12 |
| ef:activity/change/20261019T0712047113160000/262826 | altLabel | ef:agent/consensus_match | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v12 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v13 |
| ef:activity/change/20261019T0712047113160000/262827 | cas_match_labels | ef:agent/consensus_match | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v13 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v14 |
| ef:activity/change/20261019T0712047113160000/276061 | properties | ef:agent/opsin_iupac | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v14 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v15 |
| ef:activity/change/20261019T0712047113160000/282632 | properties | ef:agent/rdkit_post_consensus | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v15 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v16 |
| ef:activity/change/20261019T0712047113160000/289214 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v16 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v17 |
| ef:activity/change/20261019T0712047113160000/301977 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v17 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v18 |
| ef:activity/change/20261019T0712047113160000/390430 | properties | ef:agent/normalise_property_values | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v18 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v19 |
| ef:activity/change/20261019T0712047113160000/398021 | types | ef:agent/link_flows_to_their_substance | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v19 | ef:flow/08e4055a-b43c-4899-a3a8-eba332b8379f/v20 |