4-isopropylbenzenesulfonic Acid
Everything that changed this flow. Back to the flow
55878d94-0622-4748-bef2-e25f412bb795
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 |
| 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-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'16066-35-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c82c2ebf53b901e7: {'16066-35-6': '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=['16066-35-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173469']; candidate_pubchem_cids=[6640]; selected_pubchem_cids=[6640]; 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 |
|---|---|---|---|---|---|
| 2,330 | bootstrap_labels | prefLabel | — | [{"@value":"4-isopropylbenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 2,331 | bootstrap_labels | name | 4-isopropylbenzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,332 | bootstrap_labels | synonyms | ["organic","p-cumenesulphonicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 100,696 | 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 |
| 100,697 | 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 |
| 214,116 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,627 | normalize_name_case | prefLabel | [{"@value":"4-isopropylbenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"4-isopropylbenzenesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,419 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,420 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,421 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.510G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['16066-35-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173469']; candidate_pubchem_cids=[6640]; selected_pubchem_cids=[6640]; 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 |
| 248,963 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | rdkit_pre_consensus from 'CC(C)C1=CC=C(C=C1)S(=O)(=O)O'; added: monoisotopic_mass |
| 254,637 | chebi_altlabels | altLabel | [] | [{"@value":"4-propan-2-ylbenzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,777 | consensus_match | altLabel | [{"@value":"4-propan-2-ylbenzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"4-propan-2-ylbenzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=4-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=16066-35-6; added Common Chemistry CAS names as altLabel: 4-(1-Methylethyl)benzenesulfonic acid, <em>p</em>-Cumenesulfonic acid, <em>p</em>-Isopropylbenzenesulfonic acid, Benzenesulfonic acid, 4-(1-methylethyl)-; object_uuid=fo-c82c2ebf53b901e7 |
| 262,778 | consensus_match | cas_match_labels | — | {"16066-35-6":"exactMatch"} | group_key=4-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'16066-35-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c82c2ebf53b901e7: {'16066-35-6': 'exactMatch'} |
| 274,082 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-isopropylbenzenesulfonic Acid' |
| 280,495 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | rdkit_post_consensus from 'CC(C)c1ccc(S(=O)(=O)O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,098 | dedupe_altlabels | altLabel | [{"@value":"4-propan-2-ylbenzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"4-propan-2-ylbenzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Deduplicated altLabel values and removed entries matching prefLabel |
| 331,345 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/55878d94-0622-… | associations resolved on the elementary layer |
| 388,373 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O3S"]… | typed the way the ontology types it |
| 395,085 | 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/20260821T1302361922970000/2330 | prefLabel | ef:agent/bootstrap_labels | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v0 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v1 |
| ef:activity/change/20260821T1302361922970000/2331 | name | ef:agent/bootstrap_labels | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v1 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v2 |
| ef:activity/change/20260821T1302361922970000/2332 | synonyms | ef:agent/bootstrap_labels | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v2 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v3 |
| ef:activity/change/20260821T1302361922970000/100696 | context | ef:agent/default_context_mapping | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v3 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v4 |
| ef:activity/change/20260821T1302361922970000/100697 | context_iri | ef:agent/default_context_mapping | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v4 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v5 |
| ef:activity/change/20260821T1302361922970000/214116 | unit_iri | ef:agent/unit_normalization | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v5 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v6 |
| ef:activity/change/20260821T1302361922970000/221627 | prefLabel | ef:agent/normalize_name_case | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v6 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v7 |
| ef:activity/change/20260821T1302361922970000/229419 | properties | ef:agent/enrich_references | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v7 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v8 |
| ef:activity/change/20260821T1302361922970000/229420 | skos_definition | ef:agent/enrich_references | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v8 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v9 |
| ef:activity/change/20260821T1302361922970000/229421 | references | ef:agent/enrich_references | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v9 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v10 |
| ef:activity/change/20260821T1302361922970000/248963 | properties | ef:agent/rdkit_pre_consensus | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v10 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v11 |
| ef:activity/change/20260821T1302361922970000/254637 | altLabel | ef:agent/chebi_altlabels | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v11 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v12 |
| ef:activity/change/20260821T1302361922970000/262777 | altLabel | ef:agent/consensus_match | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v12 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v13 |
| ef:activity/change/20260821T1302361922970000/262778 | cas_match_labels | ef:agent/consensus_match | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v13 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v14 |
| ef:activity/change/20260821T1302361922970000/274082 | properties | ef:agent/opsin_iupac | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v14 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v15 |
| ef:activity/change/20260821T1302361922970000/280495 | properties | ef:agent/rdkit_post_consensus | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v15 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v16 |
| ef:activity/change/20260821T1302361922970000/292098 | altLabel | ef:agent/dedupe_altlabels | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v16 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v17 |
| ef:activity/change/20260821T1302361922970000/331345 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v17 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v18 |
| ef:activity/change/20260821T1302361922970000/388373 | properties | ef:agent/normalise_property_values | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v18 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v19 |
| ef:activity/change/20260821T1302361922970000/395085 | types | ef:agent/link_flows_to_their_substance | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v19 | ef:flow/55878d94-0622-4748-bef2-e25f412bb795/v20 |