Sodium 2-ethylhexanoate
Everything that changed this flow. Back to the flow
f06bff82-60c4-402e-9744-5e73cf84c983
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=sodium2-ethylhexanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=19766-89-3; added Common Chemistry CAS names as altLabel: 2-Ethylcaproic acid sodium salt, 2-Ethylhexanoic acid sodium salt, Hexanoic acid, 2-ethyl-, sodium salt, Hexanoic acid, 2-ethyl-, sodium salt (1:1), Nikka Octhix Na, Sodium 2-ethylcaproate; object_uuid=fo-9e5d862789437182 |
| cas_match_labels | 1 | consensus_match | group_key=sodium2-ethylhexanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'19766-89-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e5d862789437182: {'19766-89-3': '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=['19766-89-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[23672331, 87063500]; selected_pubchem_cids=[87063500]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,313 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 5,314 | bootstrap_labels | name | sodium 2-ethylhexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 5,315 | bootstrap_labels | synonyms | ["organic","sodium2-ethylhexanoate","g-energyantifreezesn"] | [] | Removed legacy synonyms field in favor of structured labels |
| 193,456 | 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 |
| 193,457 | 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 |
| 215,113 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,320 | normalize_name_case | prefLabel | [{"@value":"sodium 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Sodium 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,287 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16NaO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,288 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,289 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=19766-89-3","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['19766-89-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[23672331, 87063500]; selected_pubchem_cids=[87063500]; 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 |
| 249,783 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16NaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16NaO2"… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,725 | consensus_match | altLabel | [] | [{"@value":"2-Ethylcaproic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=sodium2-ethylhexanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=19766-89-3; added Common Chemistry CAS names as altLabel: 2-Ethylcaproic acid sodium salt, 2-Ethylhexanoic acid sodium salt, Hexanoic acid, 2-ethyl-, sodium salt, Hexanoic acid, 2-ethyl-, sodium salt (1:1), Nikka Octhix Na, Sodium 2-ethylcaproate; object_uuid=fo-9e5d862789437182 |
| 271,726 | consensus_match | cas_match_labels | — | {"19766-89-3":"exactMatch"} | group_key=sodium2-ethylhexanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'19766-89-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e5d862789437182: {'19766-89-3': 'exactMatch'} |
| 274,923 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16NaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16NaO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-ethylhexanoate' |
| 281,400 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16NaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15NaO2"… | rdkit_post_consensus from 'CCCCC(CC)C(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,828 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15NaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15NaO2"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 377,760 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f06bff82-60c4-… | associations resolved on the elementary layer |
| 396,288 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1302361922970000/5313 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v0 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v1 |
| ef:activity/change/20260821T1302361922970000/5314 | name | ef:agent/bootstrap_labels | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v1 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v2 |
| ef:activity/change/20260821T1302361922970000/5315 | synonyms | ef:agent/bootstrap_labels | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v2 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v3 |
| ef:activity/change/20260821T1302361922970000/193456 | context | ef:agent/default_context_mapping | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v3 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v4 |
| ef:activity/change/20260821T1302361922970000/193457 | context_iri | ef:agent/default_context_mapping | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v4 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v5 |
| ef:activity/change/20260821T1302361922970000/215113 | unit_iri | ef:agent/unit_normalization | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v5 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v6 |
| ef:activity/change/20260821T1302361922970000/222320 | prefLabel | ef:agent/normalize_name_case | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v6 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v7 |
| ef:activity/change/20260821T1302361922970000/232287 | properties | ef:agent/enrich_references | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v7 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v8 |
| ef:activity/change/20260821T1302361922970000/232288 | skos_definition | ef:agent/enrich_references | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v8 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v9 |
| ef:activity/change/20260821T1302361922970000/232289 | references | ef:agent/enrich_references | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v9 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v10 |
| ef:activity/change/20260821T1302361922970000/249783 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v10 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v11 |
| ef:activity/change/20260821T1302361922970000/271725 | altLabel | ef:agent/consensus_match | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v11 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v12 |
| ef:activity/change/20260821T1302361922970000/271726 | cas_match_labels | ef:agent/consensus_match | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v12 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v13 |
| ef:activity/change/20260821T1302361922970000/274923 | properties | ef:agent/opsin_iupac | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v13 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v14 |
| ef:activity/change/20260821T1302361922970000/281400 | properties | ef:agent/rdkit_post_consensus | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v14 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v15 |
| ef:activity/change/20260821T1302361922970000/286828 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v15 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v16 |
| ef:activity/change/20260821T1302361922970000/377760 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v16 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v17 |
| ef:activity/change/20260821T1302361922970000/396288 | types | ef:agent/link_flows_to_their_substance | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v17 | ef:flow/f06bff82-60c4-402e-9744-5e73cf84c983/v18 |