2-ethylhexanoic Acid
Everything that changed this flow. Back to the flow
0a9218be-d687-4647-bf16-bf928676a954
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 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8881' (registry code) |
| 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=2-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'149-57-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-53fe49edf56b6de8: {'149-57-5': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['149-57-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[379, 8697, 6997317, 13539869]; selected_pubchem_cids=[8697]; 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 |
|---|---|---|---|---|---|
| 10,161 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 10,162 | bootstrap_labels | name | 2-ethylhexanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 10,163 | bootstrap_labels | synonyms | ["(+/-)-2-ETHYLHEXANOIC ACID","(R)-2-Ethylhexanoic acid",".alpha.-Ethylcaproic acid",".alpha.-Ethylhexanoic acid","2-Bu… | [] | Removed legacy synonyms field in favor of structured labels |
| 42,794 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 42,795 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,713 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,471 | normalize_name_case | prefLabel | [{"@value":"2-ethylhexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"2-ethylhexanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,877 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,878 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,879 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.965I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['149-57-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[379, 8697, 6997317, 13539869]; selected_pubchem_cids=[8697]; 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 |
| 251,104 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 260,804 | consensus_match | altLabel | [] | [{"@value":"(±)-2-Ethylhexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=2-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=149-57-5; added Common Chemistry CAS names as altLabel: (±)-2-Ethylhexanoic acid, 2-Butylbutanoic acid, 2-Ethyl-1-hexanoic acid, 2-Ethylcaproic acid, 2-Ethylhexoic acid, 3-Heptanecarboxylic acid, Butylethylacetic acid, Caproic acid, α-ethyl-, Ethylhexanoic acid, Hexanoic acid, 2-ethyl-, NSC 8881, Octylic acid, α-Ethylcaproic acid, α-Ethylhexanoic acid; object_uuid=fo-53fe49edf56b6de8 |
| 260,805 | consensus_match | cas_match_labels | — | {"149-57-5":"exactMatch"} | group_key=2-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'149-57-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-53fe49edf56b6de8: {'149-57-5': 'exactMatch'} |
| 276,290 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylhexanoic Acid' |
| 282,880 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CCCCC(CC)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,372 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-2-Ethylhexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | [{"@value":"(±)-2-Ethylhexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 8881' (registry code) |
| 302,422 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0a9218be-d687-… | associations resolved on the elementary layer |
| 390,635 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | typed the way the ontology types it |
| 398,330 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1302361922970000/10161 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v0 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v1 |
| ef:activity/change/20260821T1302361922970000/10162 | name | ef:agent/bootstrap_labels | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v1 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v2 |
| ef:activity/change/20260821T1302361922970000/10163 | synonyms | ef:agent/bootstrap_labels | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v2 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v3 |
| ef:activity/change/20260821T1302361922970000/42794 | context | ef:agent/default_context_mapping | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v3 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v4 |
| ef:activity/change/20260821T1302361922970000/42795 | context_iri | ef:agent/default_context_mapping | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v4 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v5 |
| ef:activity/change/20260821T1302361922970000/216713 | unit_iri | ef:agent/unit_normalization | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v5 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v6 |
| ef:activity/change/20260821T1302361922970000/223471 | prefLabel | ef:agent/normalize_name_case | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v6 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v7 |
| ef:activity/change/20260821T1302361922970000/236877 | properties | ef:agent/enrich_references | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v7 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v8 |
| ef:activity/change/20260821T1302361922970000/236878 | skos_definition | ef:agent/enrich_references | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v8 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v9 |
| ef:activity/change/20260821T1302361922970000/236879 | references | ef:agent/enrich_references | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v9 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v10 |
| ef:activity/change/20260821T1302361922970000/251104 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v10 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v11 |
| ef:activity/change/20260821T1302361922970000/260804 | altLabel | ef:agent/consensus_match | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v11 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v12 |
| ef:activity/change/20260821T1302361922970000/260805 | cas_match_labels | ef:agent/consensus_match | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v12 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v13 |
| ef:activity/change/20260821T1302361922970000/276290 | properties | ef:agent/opsin_iupac | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v13 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v14 |
| ef:activity/change/20260821T1302361922970000/282880 | properties | ef:agent/rdkit_post_consensus | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v14 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v15 |
| ef:activity/change/20260821T1302361922970000/289372 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v15 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v16 |
| ef:activity/change/20260821T1302361922970000/302422 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v16 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v17 |
| ef:activity/change/20260821T1302361922970000/390635 | properties | ef:agent/normalise_property_values | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v17 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v18 |
| ef:activity/change/20260821T1302361922970000/398330 | types | ef:agent/link_flows_to_their_substance | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v18 | ef:flow/0a9218be-d687-4647-bf16-bf928676a954/v19 |