5-chloro-2-methyl-2H-isothiazol-3-one
Everything that changed this flow. Back to the flow
31ec1835-d25e-4c55-9b3c-e81e1035657f
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 7 catalogue altLabel value(s): 'A 33' (grade code), 'A 33 (bactericide)' (grade code), 'HS 818' (grade code), 'HS 818 (antiseptic)' (grade code), 'T 360' (grade code), 'XL 2' (grade code), 'XL 2 (bactericide)' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=5-chloro-2-methyl-2h-isothiazol-3-one||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'26172-55-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-defc7cbee8b515f8: {'26172-55-4': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['26172-55-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53621']; candidate_pubchem_cids=[33344, 45108269]; selected_pubchem_cids=[33344]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,983 | bootstrap_labels | prefLabel | — | [{"@value":"5-chloro-2-methyl-2H-isothiazol-3-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 12,984 | bootstrap_labels | name | 5-chloro-2-methyl-2H-isothiazol-3-one | — | Purged legacy name field to enforce prefLabel usage |
| 12,985 | bootstrap_labels | synonyms | ["3(2H)-Isothiazolone, 5-chloro-2-methyl-","4-ISOTHIAZOLIN-3-ONE, 5-CHLORO-2-METHYL-","5-Chloro-2-methyl-3(2H)-isothiaz… | [] | Removed legacy synonyms field in favor of structured labels |
| 69,662 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 69,663 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 217,632 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,498 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,499 | enrich_references | skos_definition | — | [{"@value":"A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,500 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.688K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['26172-55-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53621']; candidate_pubchem_cids=[33344, 45108269]; selected_pubchem_cids=[33344]; 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 |
| 251,858 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | rdkit_pre_consensus from 'CN1C(=O)C=C(S1)Cl'; added: monoisotopic_mass |
| 256,160 | chebi_altlabels | altLabel | [] | [{"@value":"2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,064 | consensus_match | altLabel | [{"@value":"2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=5-chloro-2-methyl-2h-isothiazol-3-one||dimension=Environmental > media=Air > strata=Unknown; cas=26172-55-4; added Common Chemistry CAS names as altLabel: 2-Methyl-5-chloro-3-isothiazolone, 2-Methyl-5-chloroisothiazolin-3-one, 3(2<em>H</em>)-Isothiazolone, 5-chloro-2-methyl-, 4-Isothiazolin-3-one, 5-chloro-2-methyl-, 5-Chloro-2-methyl-(2<em>H</em>)-isothiazolone, 5-Chloro-2-methyl-2<em>H</em>-isothiazolin-3-one, 5-Chloro-2-methyl-3(2<em>H</em>)-isothiazolinone, 5-Chloro-2-methyl-3(2<em>H</em>)-isothiazolone, 5-Chloro-2-methyl-3-isothiazolone, 5-Chloro-2-methyl-4-isothiazoline-3-ketone, 5-Chloro-2-methylisothiazolin-3-one, 5-Chloro-<em>N</em>-methylisothiazolin-3-one, 5-Chloro-<em>N</em>-methylisothiazolone, <em>N</em>-Methyl-5-chloroisothiazolin-3-one, <em>N</em>-Methyl-5-chloroisothiazolone, A 33, A 33 (bactericide), Acticide C 1, Acticide MV 1, Bioace, CIT, HS 818, HS 818 (antiseptic), Kathon CG 5243, Kathon CJ 1, Kathon IXE, T 360, XL 2, XL 2 (bactericide); object_uuid=fo-defc7cbee8b515f8 |
| 263,065 | consensus_match | cas_match_labels | — | {"26172-55-4":"exactMatch"} | group_key=5-chloro-2-methyl-2h-isothiazol-3-one||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'26172-55-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-defc7cbee8b515f8: {'26172-55-4': 'exactMatch'} |
| 283,705 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | rdkit_post_consensus from 'CN1C(=O)C=C(S1)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,922 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 7 catalogue altLabel value(s): 'A 33' (grade code), 'A 33 (bactericide)' (grade code), 'HS 818' (grade code), 'HS 818 (antiseptic)' (grade code), 'T 360' (grade code), 'XL 2' (grade code), 'XL 2 (bactericide)' (grade code) |
| 315,848 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/31ec1835-d25e-… | associations resolved on the elementary layer |
| 391,403 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4ClNOS"… | typed the way the ontology types it |
| 399,419 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,420 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | 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/20260821T1554374006150000/12983 | prefLabel | ef:agent/bootstrap_labels | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v0 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v1 |
| ef:activity/change/20260821T1554374006150000/12984 | name | ef:agent/bootstrap_labels | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v1 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v2 |
| ef:activity/change/20260821T1554374006150000/12985 | synonyms | ef:agent/bootstrap_labels | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v2 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v3 |
| ef:activity/change/20260821T1554374006150000/69662 | context | ef:agent/default_context_mapping | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v3 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v4 |
| ef:activity/change/20260821T1554374006150000/69663 | context_iri | ef:agent/default_context_mapping | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v4 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v5 |
| ef:activity/change/20260821T1554374006150000/217632 | unit_iri | ef:agent/unit_normalization | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v5 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v6 |
| ef:activity/change/20260821T1554374006150000/239498 | properties | ef:agent/enrich_references | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v6 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v7 |
| ef:activity/change/20260821T1554374006150000/239499 | skos_definition | ef:agent/enrich_references | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v7 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v8 |
| ef:activity/change/20260821T1554374006150000/239500 | references | ef:agent/enrich_references | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v8 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v9 |
| ef:activity/change/20260821T1554374006150000/251858 | properties | ef:agent/rdkit_pre_consensus | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v9 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v10 |
| ef:activity/change/20260821T1554374006150000/256160 | altLabel | ef:agent/chebi_altlabels | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v10 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v11 |
| ef:activity/change/20260821T1554374006150000/263064 | altLabel | ef:agent/consensus_match | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v11 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v12 |
| ef:activity/change/20260821T1554374006150000/263065 | cas_match_labels | ef:agent/consensus_match | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v12 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v13 |
| ef:activity/change/20260821T1554374006150000/283705 | properties | ef:agent/rdkit_post_consensus | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v13 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v14 |
| ef:activity/change/20260821T1554374006150000/289922 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v14 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v15 |
| ef:activity/change/20260821T1554374006150000/315848 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v15 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v16 |
| ef:activity/change/20260821T1554374006150000/391403 | properties | ef:agent/normalise_property_values | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v16 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v17 |
| ef:activity/change/20260821T1554374006150000/399419 | types | ef:agent/link_flows_to_their_substance | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v17 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v18 |
| ef:activity/change/20260821T1554374006150000/399420 | roles | ef:agent/link_flows_to_their_substance | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v18 | ef:flow/31ec1835-d25e-4c55-9b3c-e81e1035657f/v19 |