Butane-1,3-diyl Diacetate
Everything that changed this flow. Back to the flow
86a695b1-f176-48bd-889b-a18bbe2f5d16
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 67338' (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=butane-1,3-diyldiacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1117-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0cc8c94dd4316e1: {'1117-31-3': '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 air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1117-31-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[66968, 79140, 53445255]; selected_pubchem_cids=[79140]; 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 |
|---|---|---|---|---|---|
| 6,190 | bootstrap_labels | prefLabel | — | [{"@value":"butane-1,3-diyl diacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 6,191 | bootstrap_labels | name | butane-1,3-diyl diacetate | — | Purged legacy name field to enforce prefLabel usage |
| 6,192 | bootstrap_labels | synonyms | ["organic","1,3-butylenediacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 129,856 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 129,857 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 215,408 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,523 | normalize_name_case | prefLabel | [{"@value":"butane-1,3-diyl diacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"Butane-1,3-diyl Diacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,134 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,135 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,136 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.690B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1117-31-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[66968, 79140, 53445255]; selected_pubchem_cids=[79140]; 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 |
| 250,033 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | rdkit_pre_consensus from 'CC(CCOC(=O)C)OC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 264,538 | consensus_match | altLabel | [] | [{"@value":"(±)-1,3-Diacetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=butane-1,3-diyldiacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=1117-31-3; added Common Chemistry CAS names as altLabel: (±)-1,3-Diacetoxybutane, 1,3-BGDA, 1,3-Butanediol, 1,3-diacetate, 1,3-Butanediol, diacetate, 1,3-Butanediyl diacetate, 1,3-Butylene diacetate, 1,3-Butylene glycol diacetate, 1,3-Diacetoxybutane, CELTOL 1,3-BGDA, NSC 67338; object_uuid=fo-f0cc8c94dd4316e1 |
| 264,539 | consensus_match | cas_match_labels | — | {"1117-31-3":"exactMatch"} | group_key=butane-1,3-diyldiacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1117-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0cc8c94dd4316e1: {'1117-31-3': 'exactMatch'} |
| 275,170 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butane-1,3-diyl Diacetate' |
| 281,668 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | rdkit_post_consensus from 'CC(=O)OCCC(C)OC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,515 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-1,3-Diacetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"(±)-1,3-Diacetoxybutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 67338' (registry code) |
| 345,928 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/86a695b1-f176-… | associations resolved on the elementary layer |
| 389,473 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O4"],… | typed the way the ontology types it |
| 396,642 | 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/20260821T1554374006150000/6190 | prefLabel | ef:agent/bootstrap_labels | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v0 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v1 |
| ef:activity/change/20260821T1554374006150000/6191 | name | ef:agent/bootstrap_labels | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v1 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v2 |
| ef:activity/change/20260821T1554374006150000/6192 | synonyms | ef:agent/bootstrap_labels | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v2 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v3 |
| ef:activity/change/20260821T1554374006150000/129856 | context | ef:agent/default_context_mapping | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v3 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v4 |
| ef:activity/change/20260821T1554374006150000/129857 | context_iri | ef:agent/default_context_mapping | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v4 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v5 |
| ef:activity/change/20260821T1554374006150000/215408 | unit_iri | ef:agent/unit_normalization | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v5 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v6 |
| ef:activity/change/20260821T1554374006150000/222523 | prefLabel | ef:agent/normalize_name_case | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v6 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v7 |
| ef:activity/change/20260821T1554374006150000/233134 | properties | ef:agent/enrich_references | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v7 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v8 |
| ef:activity/change/20260821T1554374006150000/233135 | skos_definition | ef:agent/enrich_references | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v8 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v9 |
| ef:activity/change/20260821T1554374006150000/233136 | references | ef:agent/enrich_references | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v9 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v10 |
| ef:activity/change/20260821T1554374006150000/250033 | properties | ef:agent/rdkit_pre_consensus | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v10 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v11 |
| ef:activity/change/20260821T1554374006150000/264538 | altLabel | ef:agent/consensus_match | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v11 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v12 |
| ef:activity/change/20260821T1554374006150000/264539 | cas_match_labels | ef:agent/consensus_match | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v12 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v13 |
| ef:activity/change/20260821T1554374006150000/275170 | properties | ef:agent/opsin_iupac | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v13 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v14 |
| ef:activity/change/20260821T1554374006150000/281668 | properties | ef:agent/rdkit_post_consensus | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v14 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v15 |
| ef:activity/change/20260821T1554374006150000/288515 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v15 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v16 |
| ef:activity/change/20260821T1554374006150000/345928 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v16 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v17 |
| ef:activity/change/20260821T1554374006150000/389473 | properties | ef:agent/normalise_property_values | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v17 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v18 |
| ef:activity/change/20260821T1554374006150000/396642 | types | ef:agent/link_flows_to_their_substance | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v18 | ef:flow/86a695b1-f176-48bd-889b-a18bbe2f5d16/v19 |