Sodium 2-butyloctyl Sulfate
Everything that changed this flow. Back to the flow
acadf6d5-7443-40b3-ba6c-739b3785ceef
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 | 2 | chebi_altlabels, consensus_match | group_key=sodium2-butyloctylsulfate||dimension=Environmental > media=Water > water_body=Unknown; cas=94200-74-5; added Common Chemistry CAS names as altLabel: 1-Octanol, 2-butyl-, 1-(hydrogen sulfate), sodium salt (1:1), 1-Octanol, 2-butyl-, hydrogen sulfate, sodium salt, Isofol 12S, Sodium 2-butyl-1-octyl sulfate; object_uuid=fo-c016561e168e7480 |
| 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=sodium2-butyloctylsulfate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'94200-74-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c016561e168e7480: {'94200-74-5': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['94200-74-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_155875']; candidate_pubchem_cids=[23679910]; selected_pubchem_cids=[23679910]; 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 |
|---|---|---|---|---|---|
| 3,176 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-butyloctyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 3,177 | bootstrap_labels | name | sodium 2-butyloctyl sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 3,178 | bootstrap_labels | synonyms | ["organic","sodium2-butyloctylsulphate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 152,588 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 152,589 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,399 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,815 | normalize_name_case | prefLabel | [{"@value":"sodium 2-butyloctyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Sodium 2-butyloctyl Sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,233 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,234 | enrich_references | skos_definition | — | [{"@value":"An organic sodium salt having 2-butyloctyl sulfate as the counterion. It is used as a surfactant.","@langua… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,235 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J319.120F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['94200-74-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_155875']; candidate_pubchem_cids=[23679910]; selected_pubchem_cids=[23679910]; 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 |
| 249,201 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | rdkit_pre_consensus from 'CCCCCCC(CCCC)COS(=O)(=O)[O-].[Na+]'; added: monoisotopic_mass |
| 254,743 | chebi_altlabels | altLabel | [] | [{"@value":"sodium 2-butyloctyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,723 | consensus_match | altLabel | [{"@value":"sodium 2-butyloctyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"sodium 2-butyloctyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=sodium2-butyloctylsulfate||dimension=Environmental > media=Water > water_body=Unknown; cas=94200-74-5; added Common Chemistry CAS names as altLabel: 1-Octanol, 2-butyl-, 1-(hydrogen sulfate), sodium salt (1:1), 1-Octanol, 2-butyl-, hydrogen sulfate, sodium salt, Isofol 12S, Sodium 2-butyl-1-octyl sulfate; object_uuid=fo-c016561e168e7480 |
| 271,724 | consensus_match | cas_match_labels | — | {"94200-74-5":"exactMatch"} | group_key=sodium2-butyloctylsulfate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'94200-74-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c016561e168e7480: {'94200-74-5': 'exactMatch'} |
| 274,316 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-butyloctyl Sulfate' |
| 280,748 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | rdkit_post_consensus from 'CCCCCCC(CCCC)COS(=O)(=O)[O-].[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 357,317 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/acadf6d5-7443-… | associations resolved on the elementary layer |
| 388,612 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO4… | typed the way the ontology types it |
| 395,422 | 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/20260821T1554374006150000/3176 | prefLabel | ef:agent/bootstrap_labels | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v0 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v1 |
| ef:activity/change/20260821T1554374006150000/3177 | name | ef:agent/bootstrap_labels | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v1 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v2 |
| ef:activity/change/20260821T1554374006150000/3178 | synonyms | ef:agent/bootstrap_labels | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v2 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v3 |
| ef:activity/change/20260821T1554374006150000/152588 | context | ef:agent/default_context_mapping | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v3 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v4 |
| ef:activity/change/20260821T1554374006150000/152589 | context_iri | ef:agent/default_context_mapping | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v4 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v5 |
| ef:activity/change/20260821T1554374006150000/214399 | unit_iri | ef:agent/unit_normalization | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v5 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v6 |
| ef:activity/change/20260821T1554374006150000/221815 | prefLabel | ef:agent/normalize_name_case | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v6 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v7 |
| ef:activity/change/20260821T1554374006150000/230233 | properties | ef:agent/enrich_references | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v7 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v8 |
| ef:activity/change/20260821T1554374006150000/230234 | skos_definition | ef:agent/enrich_references | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v8 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v9 |
| ef:activity/change/20260821T1554374006150000/230235 | references | ef:agent/enrich_references | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v9 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v10 |
| ef:activity/change/20260821T1554374006150000/249201 | properties | ef:agent/rdkit_pre_consensus | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v10 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v11 |
| ef:activity/change/20260821T1554374006150000/254743 | altLabel | ef:agent/chebi_altlabels | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v11 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v12 |
| ef:activity/change/20260821T1554374006150000/271723 | altLabel | ef:agent/consensus_match | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v12 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v13 |
| ef:activity/change/20260821T1554374006150000/271724 | cas_match_labels | ef:agent/consensus_match | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v13 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v14 |
| ef:activity/change/20260821T1554374006150000/274316 | properties | ef:agent/opsin_iupac | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v14 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v15 |
| ef:activity/change/20260821T1554374006150000/280748 | properties | ef:agent/rdkit_post_consensus | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v15 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v16 |
| ef:activity/change/20260821T1554374006150000/357317 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v16 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v17 |
| ef:activity/change/20260821T1554374006150000/388612 | properties | ef:agent/normalise_property_values | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v17 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v18 |
| ef:activity/change/20260821T1554374006150000/395422 | types | ef:agent/link_flows_to_their_substance | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v18 | ef:flow/acadf6d5-7443-40b3-ba6c-739b3785ceef/v19 |