Carbonodithioic Acid, O-(2-methylpropyl) Ester, Potassium Salt
Everything that changed this flow. Back to the flow
7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes 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=carbonodithioicacid,o-(2-methylpropyl)ester,potassiumsalt||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13001-46-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4779e759e48c54e: {'13001-46-2': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13001-46-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675782, 87831549]; selected_pubchem_cids=[87831549]; 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 |
|---|---|---|---|---|---|
| 4,178 | bootstrap_labels | prefLabel | — | [{"@value":"carbonodithioic acid, o-(2-methylpropyl) ester, potassium salt","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 4,179 | bootstrap_labels | name | carbonodithioic acid, o-(2-methylpropyl) ester, potassium salt | — | Purged legacy name field to enforce prefLabel usage |
| 4,180 | bootstrap_labels | synonyms | ["organic","potassiumo-isobutyldithiocarbonate","isobutylpotassiumxanthate","pibx","potassiumisobutoxyxanthogenate","po… | [] | Removed legacy synonyms field in favor of structured labels |
| 123,290 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 123,291 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 214,735 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,057 | normalize_name_case | prefLabel | [{"@value":"carbonodithioic acid, o-(2-methylpropyl) ester, potassium salt","@language":"en","source":{"prov:wasGenerat… | [{"@value":"Carbonodithioic Acid, O-(2-methylpropyl) Ester, Potassium Salt","@language":"en","source":{"prov:wasGenerat… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,200 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,201 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,202 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=13001-46-2","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['13001-46-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675782, 87831549]; selected_pubchem_cids=[87831549]; 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 |
| 249,473 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | rdkit_pre_consensus from 'CC(C)COC(=S)S.[K]'; added: molecular_mass, monoisotopic_mass |
| 264,894 | consensus_match | altLabel | [] | [{"@value":"<em>O</em>-Isobutyl potassium xanthate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=carbonodithioicacid,o-(2-methylpropyl)ester,potassiumsalt||dimension=Environmental > media=Air > indoor=Unknown; cas=13001-46-2; added Common Chemistry CAS names as altLabel: <em>O</em>-Isobutyl potassium xanthate, Carbonic acid, dithio-, <em>O</em>-isobutyl ester, potassium salt, Carbonodithioic acid, <em>O</em>-(2-methylpropyl) ester, potassium salt (1:1), Isobutyl potassium xanthate, Potassium <em>O</em>-isobutyl dithiocarbonate, Potassium <em>O</em>-isobutyl xanthate, Potassium isobutoxy xanthogenate, Potassium isobutyl dithiocarbonate, Potassium isobutyl xanthate, Potassium isobutylxanthogenate, Xanthic acid, isobutyl-, potassium salt; object_uuid=fo-a4779e759e48c54e |
| 264,895 | consensus_match | cas_match_labels | — | {"13001-46-2":"exactMatch"} | group_key=carbonodithioicacid,o-(2-methylpropyl)ester,potassiumsalt||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13001-46-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4779e759e48c54e: {'13001-46-2': 'exactMatch'} |
| 274,606 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Carbonodithioic Acid, O-(2-methylpropyl) Ester, Potassium Salt' |
| 281,059 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | rdkit_post_consensus from 'CC(C)COC(=S)[S-].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,800 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10KOS2"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,192 | dedupe_altlabels | altLabel | [{"@value":"<em>O</em>-Isobutyl potassium xanthate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"O-Isobutyl potassium xanthate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Deduplicated altLabel values and removed entries matching prefLabel |
| 342,643 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7bbd25e9-f1ca-… | associations resolved on the elementary layer |
| 395,845 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/4178 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v0 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v1 |
| ef:activity/change/20260822T0600486828500000/4179 | name | ef:agent/bootstrap_labels | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v1 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v2 |
| ef:activity/change/20260822T0600486828500000/4180 | synonyms | ef:agent/bootstrap_labels | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v2 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v3 |
| ef:activity/change/20260822T0600486828500000/123290 | context | ef:agent/default_context_mapping | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v3 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v4 |
| ef:activity/change/20260822T0600486828500000/123291 | context_iri | ef:agent/default_context_mapping | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v4 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v5 |
| ef:activity/change/20260822T0600486828500000/214735 | unit_iri | ef:agent/unit_normalization | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v5 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v6 |
| ef:activity/change/20260822T0600486828500000/222057 | prefLabel | ef:agent/normalize_name_case | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v6 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v7 |
| ef:activity/change/20260822T0600486828500000/231200 | properties | ef:agent/enrich_references | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v7 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v8 |
| ef:activity/change/20260822T0600486828500000/231201 | skos_definition | ef:agent/enrich_references | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v8 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v9 |
| ef:activity/change/20260822T0600486828500000/231202 | references | ef:agent/enrich_references | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v9 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v10 |
| ef:activity/change/20260822T0600486828500000/249473 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v10 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v11 |
| ef:activity/change/20260822T0600486828500000/264894 | altLabel | ef:agent/consensus_match | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v11 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v12 |
| ef:activity/change/20260822T0600486828500000/264895 | cas_match_labels | ef:agent/consensus_match | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v12 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v13 |
| ef:activity/change/20260822T0600486828500000/274606 | properties | ef:agent/opsin_iupac | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v13 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v14 |
| ef:activity/change/20260822T0600486828500000/281059 | properties | ef:agent/rdkit_post_consensus | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v14 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v15 |
| ef:activity/change/20260822T0600486828500000/286800 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v15 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v16 |
| ef:activity/change/20260822T0600486828500000/292192 | altLabel | ef:agent/dedupe_altlabels | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v16 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v17 |
| ef:activity/change/20260822T0600486828500000/342643 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v17 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v18 |
| ef:activity/change/20260822T0600486828500000/395845 | types | ef:agent/link_flows_to_their_substance | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v18 | ef:flow/7bbd25e9-f1ca-4531-9aa1-b1a85e7f008b/v19 |