Ethyl Hexanoate
Everything that changed this flow. Back to the flow
9af92b42-7cd8-4caf-a5d9-446a0997c70f
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8882' (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=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-070d0a883debccc8: {'123-66-0': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-66-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86055']; candidate_pubchem_cids=[1265, 31265, 119389]; selected_pubchem_cids=[31265]; 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 |
|---|---|---|---|---|---|
| 16,949 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 16,950 | bootstrap_labels | name | ethyl hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 24,466 | bootstrap_labels | synonyms | ["ethylhexanoate","hexanoateethyle","hexanoicacid,ethylester","AC1L1L9S","Acetic acid, butyl-, ethyl ester","CPD-10093"… | [] | Removed legacy synonyms field in favor of structured labels |
| 142,008 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 142,009 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 218,898 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,968 | normalize_name_case | prefLabel | [{"@value":"ethyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Ethyl Hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,102 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,103 | enrich_references | skos_definition | — | [{"@value":"A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.","@language":"e… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,104 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.500C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['123-66-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86055']; candidate_pubchem_cids=[1265, 31265, 119389]; selected_pubchem_cids=[31265]; 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 |
| 256,618 | chebi_altlabels | altLabel | [] | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,893 | consensus_match | altLabel | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; cas=123-66-0; added Common Chemistry CAS names as altLabel: Ethyl capronate, Hexanoic acid, ethyl ester, NSC 8882; object_uuid=fo-070d0a883debccc8 |
| 266,894 | consensus_match | cas_match_labels | — | {"123-66-0":"exactMatch"} | group_key=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-070d0a883debccc8: {'123-66-0': 'exactMatch'} |
| 278,109 | 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 'Ethyl Hexanoate' |
| 284,844 | 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 'CCCCCC(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,698 | strip_catalogue_altlabels | altLabel | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 8882' (registry code) |
| 352,006 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9af92b42-7cd8-… | associations resolved on the elementary layer |
| 392,461 | 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 |
| 400,945 | 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/20260822T0600486828500000/16949 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v0 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v1 |
| ef:activity/change/20260822T0600486828500000/16950 | name | ef:agent/bootstrap_labels | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v1 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v2 |
| ef:activity/change/20260822T0600486828500000/24466 | synonyms | ef:agent/bootstrap_labels | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v2 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v3 |
| ef:activity/change/20260822T0600486828500000/142008 | context | ef:agent/default_context_mapping | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v3 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v4 |
| ef:activity/change/20260822T0600486828500000/142009 | context_iri | ef:agent/default_context_mapping | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v4 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v5 |
| ef:activity/change/20260822T0600486828500000/218898 | unit_iri | ef:agent/unit_normalization | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v5 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v6 |
| ef:activity/change/20260822T0600486828500000/224968 | prefLabel | ef:agent/normalize_name_case | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v6 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v7 |
| ef:activity/change/20260822T0600486828500000/243102 | properties | ef:agent/enrich_references | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v7 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v8 |
| ef:activity/change/20260822T0600486828500000/243103 | skos_definition | ef:agent/enrich_references | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v8 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v9 |
| ef:activity/change/20260822T0600486828500000/243104 | references | ef:agent/enrich_references | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v9 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v10 |
| ef:activity/change/20260822T0600486828500000/256618 | altLabel | ef:agent/chebi_altlabels | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v10 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v11 |
| ef:activity/change/20260822T0600486828500000/266893 | altLabel | ef:agent/consensus_match | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v11 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v12 |
| ef:activity/change/20260822T0600486828500000/266894 | cas_match_labels | ef:agent/consensus_match | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v12 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v13 |
| ef:activity/change/20260822T0600486828500000/278109 | properties | ef:agent/opsin_iupac | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v13 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v14 |
| ef:activity/change/20260822T0600486828500000/284844 | properties | ef:agent/rdkit_post_consensus | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v14 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v15 |
| ef:activity/change/20260822T0600486828500000/290698 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v15 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v16 |
| ef:activity/change/20260822T0600486828500000/352006 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v16 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v17 |
| ef:activity/change/20260822T0600486828500000/392461 | properties | ef:agent/normalise_property_values | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v17 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v18 |
| ef:activity/change/20260822T0600486828500000/400945 | types | ef:agent/link_flows_to_their_substance | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v18 | ef:flow/9af92b42-7cd8-4caf-a5d9-446a0997c70f/v19 |