Ethyl Acetate
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-97be-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'DY 026' (grade code), 'NC 401' (grade code), 'NSC 70930' (registry code), 'T 6502' (grade 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=ethylacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-78-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-af6e4862ed86ab76: {'141-78-6': '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=['141-78-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27750']; candidate_pubchem_cids=[8857, 21584119, 21584252]; selected_pubchem_cids=[8857]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,449 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 3,450 | bootstrap_labels | name | ethyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 3,451 | bootstrap_labels | synonyms | ["1-acetoxyethane","300085X","A0030","AB1003968","AC1L1RU4","AC1Q35EC","ACETIC ACID,ETHYL ESTER","AKOS000121947","Aceta… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,966 | 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 |
| 92,967 | 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 |
| 214,490 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,886 | normalize_name_case | prefLabel | [{"@value":"ethyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Ethyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,504 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,505 | enrich_references | skos_definition | — | [{"@value":"The acetate ester formed between acetic acid and ethanol.","@language":"en","provenance":{"prov:wasGenerate… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,506 | enrich_references | references | [] | [{"@id":"gmelin:26306","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['141-78-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27750']; candidate_pubchem_cids=[8857, 21584119, 21584252]; selected_pubchem_cids=[8857]; 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 |
| 249,280 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | rdkit_pre_consensus from 'CCOC(=O)C'; added: monoisotopic_mass |
| 254,797 | chebi_altlabels | altLabel | [] | [{"@value":"1-acetoxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 16 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,863 | consensus_match | altLabel | [{"@value":"1-acetoxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-acetoxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=ethylacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=141-78-6; added Common Chemistry CAS names as altLabel: 1: PN: CN110526858 SEQID: 1 claimed sequence, Acetic acid, ester with EtOH, Acetic ether, Acetidin, DY 026, NC 401, NSC 70930, T 6502; object_uuid=fo-af6e4862ed86ab76 |
| 266,864 | consensus_match | cas_match_labels | — | {"141-78-6":"exactMatch"} | group_key=ethylacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-78-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-af6e4862ed86ab76: {'141-78-6': 'exactMatch'} |
| 274,401 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl Acetate' |
| 280,837 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | rdkit_post_consensus from 'CCOC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,954 | strip_catalogue_altlabels | altLabel | [{"@value":"1-acetoxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-acetoxyethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 4 catalogue altLabel value(s): 'DY 026' (grade code), 'NC 401' (grade code), 'NSC 70930' (registry code), 'T 6502' (grade code) |
| 327,489 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 388,695 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | typed the way the ontology types it |
| 395,534 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/3449 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/3450 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/3451 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/92966 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/92967 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/214490 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/221886 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/230504 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/230505 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/230506 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/249280 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/254797 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266863 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/266864 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/274401 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/280837 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/287954 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/327489 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/388695 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/395534 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-97be-0050c2490048/v20 |