2-octyl-3(2h)-isothiazolone
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-92ea-0050c2490048
By field
14 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 10 catalogue altLabel value(s): 'Kathon 4200' (trade name), 'Kathon 893' (trade name), 'Kathon 893F' (trade name), 'Kathon 893T' (trade name), 'M 8' (grade code), 'OIT 99' (grade code), 'OTA 20' (grade code), 'RH 893' (grade code), 'Rosima 243' (trade name), 'SD 888' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-octyl-3(2h)-isothiazolone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'26530-20-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-275dbce748d810ce: {'26530-20-1': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['26530-20-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81936']; candidate_pubchem_cids=[33528, 61785, 2226968]; selected_pubchem_cids=[33528]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 18,454 | bootstrap_labels | prefLabel | — | [{"@value":"2-octyl-3(2h)-isothiazolone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 18,455 | bootstrap_labels | name | 2-octyl-3(2h)-isothiazolone | — | Purged legacy name field to enforce prefLabel usage |
| 21,702 | bootstrap_labels | synonyms | ["2-Octyl-2H-isothiazol-3-one","2-Octyl-3-isothiazolone","2-Octyl-4-isothiazolin-3-one","2-n-Octyl-4-isothiazolin-3-one… | [] | Removed legacy synonyms field in favor of structured labels |
| 90,540 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 90,541 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 219,376 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,423 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,424 | enrich_references | skos_definition | — | [{"@value":"A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,425 | enrich_references | references | [] | [{"@id":"agr:IND87046906","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['26530-20-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81936']; candidate_pubchem_cids=[33528, 61785, 2226968]; selected_pubchem_cids=[33528]; 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 |
| 253,292 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | rdkit_pre_consensus from 'CCCCCCCCN1C(=O)C=CS1'; added: monoisotopic_mass |
| 256,808 | chebi_altlabels | altLabel | [] | [{"@value":"2-Octyl-3-isothiazolinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,261 | consensus_match | altLabel | [{"@value":"2-Octyl-3-isothiazolinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Octyl-3-isothiazolinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=2-octyl-3(2h)-isothiazolone||dimension=Environmental > media=Air > indoor=Unknown; cas=26530-20-1; added Common Chemistry CAS names as altLabel: 2-<em>n</em>-Octyl-3-isothiazolone, 2-<em>n</em>-Octyl-4-isothiazoline-3one, 2-<em>n</em>-Octyl-4-isothiozolin-3-one, 2-<em>n</em>-Octylisothiazolin-3-one, 2-Octyl-4-isothiazoline-3-one, 2-Octyl-4-isothiazolinone, 3(2<em>H</em>)-Isothiazolone, 2-octyl-, 4-Isothiazolin-3-one, 2-octyl-, 4-Octylisothiazolin-3-one, <em>n</em>-Octylisothiazolinone, A-DW, Acticide 45, Acticide CSP, Acticide OTA 20, Acticide OTW, Acticide OTW 16, Acticide WB 909, Biocut TR 120, Biotin T, Bitetrol T 40, Ecoplast PA 20, IT 20DINCH, Kathon 4200, Kathon 893, Kathon 893F, Kathon 893T, Kathon LM, Kathon LP Preservative, Kathon SP 70, Levanax BS 50, M 8, Micro-Chek 11, Micro-Chek 11D, Microban LB 6, Mycomex M 210, OIT, OIT 99, OTA 20, OTW, Octhilinone, Octylisothiazolinone, Pancil, Pancil T, RH 893, Rosima 243, SD 888, Skane 8, Skane M 8, Skane M 8-2000, Ultra-Fresh DM 25, Vinyzene IT 3000DIDP, Zonen 0/100, Zonen O 100; object_uuid=fo-275dbce748d810ce |
| 261,262 | consensus_match | cas_match_labels | — | {"26530-20-1":"exactMatch"} | group_key=2-octyl-3(2h)-isothiazolone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'26530-20-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-275dbce748d810ce: {'26530-20-1': 'exactMatch'} |
| 278,516 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-octyl-3(2h)-isothiazolone' |
| 285,282 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | rdkit_post_consensus from 'CCCCCCCCn1sccc1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,989 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Octyl-3-isothiazolinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Octyl-3-isothiazolinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 10 catalogue altLabel value(s): 'Kathon 4200' (trade name), 'Kathon 893' (trade name), 'Kathon 893F' (trade name), 'Kathon 893T' (trade name), 'M 8' (grade code), 'OIT 99' (grade code), 'OTA 20' (grade code), 'RH 893' (grade code), 'Rosima 243' (trade name), 'SD 888' (grade code) |
| 326,302 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 392,885 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H19NOS"… | typed the way the ontology types it |
| 401,556 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,557 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_33286","rdfs:label":"agrochemical","http://www.w3.org/2004/02/skos/core#d… | 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/20260820T0738569779880000/18454 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v1 |
| ef:activity/change/20260820T0738569779880000/18455 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v2 |
| ef:activity/change/20260820T0738569779880000/21702 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v3 |
| ef:activity/change/20260820T0738569779880000/90540 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v4 |
| ef:activity/change/20260820T0738569779880000/90541 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v5 |
| ef:activity/change/20260820T0738569779880000/219376 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v6 |
| ef:activity/change/20260820T0738569779880000/244423 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v7 |
| ef:activity/change/20260820T0738569779880000/244424 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v8 |
| ef:activity/change/20260820T0738569779880000/244425 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v9 |
| ef:activity/change/20260820T0738569779880000/253292 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v10 |
| ef:activity/change/20260820T0738569779880000/256808 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v11 |
| ef:activity/change/20260820T0738569779880000/261261 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v12 |
| ef:activity/change/20260820T0738569779880000/261262 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v13 |
| ef:activity/change/20260820T0738569779880000/278516 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v14 |
| ef:activity/change/20260820T0738569779880000/285282 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v15 |
| ef:activity/change/20260820T0738569779880000/290989 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v16 |
| ef:activity/change/20260820T0738569779880000/326302 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v17 |
| ef:activity/change/20260820T0738569779880000/392885 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v18 |
| ef:activity/change/20260820T0738569779880000/401556 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v19 |
| ef:activity/change/20260820T0738569779880000/401557 | roles | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-92ea-0050c2490048/v20 |