Butyl acetate
Everything that changed this flow. Back to the flow
159042af-43f3-42b7-9cdb-53603ebafd79
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'KS 201' (grade code), 'NSC 9298' (registry code) |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=123-86-4; cc_chebi_agreed_name='Butyl acetate'; object_uuid=fo-75974d0f165c36e4 |
| cas_match_labels | 1 | consensus_match | group_key=n-butyl-acetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'123-86-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-75974d0f165c36e4: {'123-86-4': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-86-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31328']; candidate_pubchem_cids=[31272]; selected_pubchem_cids=[31272]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,262 | bootstrap_labels | prefLabel | — | [{"@value":"n-butyl-acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 3,263 | bootstrap_labels | name | n-butyl-acetate | — | Purged legacy name field to enforce prefLabel usage |
| 14,876 | bootstrap_labels | synonyms | ["n-butylacetate","butyl acetate","butyl-n acetate","n-butyl acetate","acetic acid, butyl ester","butyl ester, acetic a… | [] | Removed legacy synonyms field in favor of structured labels |
| 50,080 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 50,081 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,428 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,838 | normalize_name_case | prefLabel | [{"@value":"n-butyl-acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"N-butyl-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) |
| 230,318 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,319 | enrich_references | skos_definition | — | [{"@value":"The acetate ester of butanol.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_references.cheb… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,320 | enrich_references | references | [] | [{"@id":"beilstein:1741921","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['123-86-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31328']; candidate_pubchem_cids=[31272]; selected_pubchem_cids=[31272]; 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 |
| 254,758 | chebi_altlabels | altLabel | [] | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 16 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,500 | consensus_match | prefLabel | [{"@value":"N-butyl-acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Butyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | cas=123-86-4; cc_chebi_agreed_name='Butyl acetate'; object_uuid=fo-75974d0f165c36e4 |
| 269,501 | consensus_match | altLabel | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | cas=123-86-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-75974d0f165c36e4 |
| 269,502 | consensus_match | altLabel | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=n-butyl-acetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=123-86-4; added Common Chemistry CAS names as altLabel: H 6D4051, KS 201, NBA, NSC 9298; object_uuid=fo-75974d0f165c36e4 |
| 269,503 | consensus_match | cas_match_labels | — | {"123-86-4":"exactMatch"} | group_key=n-butyl-acetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'123-86-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-75974d0f165c36e4: {'123-86-4': 'exactMatch'} |
| 274,341 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butyl acetate' |
| 280,775 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | rdkit_post_consensus from 'CCCCOC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,903 | strip_catalogue_altlabels | altLabel | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-acetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 2 catalogue altLabel value(s): 'KS 201' (grade code), 'NSC 9298' (registry code) |
| 306,067 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/159042af-43f3-… | associations resolved on the elementary layer |
| 388,638 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | typed the way the ontology types it |
| 395,456 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1554374006150000/3262 | prefLabel | ef:agent/bootstrap_labels | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v0 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v1 |
| ef:activity/change/20260821T1554374006150000/3263 | name | ef:agent/bootstrap_labels | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v1 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v2 |
| ef:activity/change/20260821T1554374006150000/14876 | synonyms | ef:agent/bootstrap_labels | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v2 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v3 |
| ef:activity/change/20260821T1554374006150000/50080 | context | ef:agent/default_context_mapping | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v3 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v4 |
| ef:activity/change/20260821T1554374006150000/50081 | context_iri | ef:agent/default_context_mapping | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v4 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v5 |
| ef:activity/change/20260821T1554374006150000/214428 | unit_iri | ef:agent/unit_normalization | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v5 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v6 |
| ef:activity/change/20260821T1554374006150000/221838 | prefLabel | ef:agent/normalize_name_case | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v6 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v7 |
| ef:activity/change/20260821T1554374006150000/230318 | properties | ef:agent/enrich_references | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v7 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v8 |
| ef:activity/change/20260821T1554374006150000/230319 | skos_definition | ef:agent/enrich_references | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v8 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v9 |
| ef:activity/change/20260821T1554374006150000/230320 | references | ef:agent/enrich_references | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v9 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v10 |
| ef:activity/change/20260821T1554374006150000/254758 | altLabel | ef:agent/chebi_altlabels | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v10 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v11 |
| ef:activity/change/20260821T1554374006150000/269500 | prefLabel | ef:agent/consensus_match | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v11 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v12 |
| ef:activity/change/20260821T1554374006150000/269501 | altLabel | ef:agent/consensus_match | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v12 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v13 |
| ef:activity/change/20260821T1554374006150000/269502 | altLabel | ef:agent/consensus_match | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v13 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v14 |
| ef:activity/change/20260821T1554374006150000/269503 | cas_match_labels | ef:agent/consensus_match | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v14 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v15 |
| ef:activity/change/20260821T1554374006150000/274341 | properties | ef:agent/opsin_iupac | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v15 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v16 |
| ef:activity/change/20260821T1554374006150000/280775 | properties | ef:agent/rdkit_post_consensus | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v16 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v17 |
| ef:activity/change/20260821T1554374006150000/287903 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v17 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v18 |
| ef:activity/change/20260821T1554374006150000/306067 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v18 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v19 |
| ef:activity/change/20260821T1554374006150000/388638 | properties | ef:agent/normalise_property_values | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v19 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v20 |
| ef:activity/change/20260821T1554374006150000/395456 | types | ef:agent/link_flows_to_their_substance | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v20 | ef:flow/159042af-43f3-42b7-9cdb-53603ebafd79/v21 |