Sec-butylacetate
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a724-0050c2490048
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8034' (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=sec-butylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'105-46-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-00d5577e263643ee: {'105-46-4': '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, 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=['105-46-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7758, 5280443, 6950754, 22173963]; selected_pubchem_cids=[7758]; 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 |
|---|---|---|---|---|---|
| 24,473 | bootstrap_labels | prefLabel | — | [{"@value":"sec-butylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 24,474 | bootstrap_labels | name | sec-butylacetate | — | Purged legacy name field to enforce prefLabel usage |
| 25,684 | bootstrap_labels | synonyms | ["1-Methylpropyl acetate","1-Methylpropyl ethanoate","2-Butanol acetate","2-Butyl acetate","76 Res","A0025","AC1L1PHI",… | [] | Removed legacy synonyms field in favor of structured labels |
| 206,824 | 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) |
| 206,825 | 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) |
| 220,841 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,444 | normalize_name_case | prefLabel | [{"@value":"sec-butylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Sec-butylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 248,062 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 248,063 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 248,064 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.030D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['105-46-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7758, 5280443, 6950754, 22173963]; selected_pubchem_cids=[7758]; 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 |
| 254,319 | rdkit_pre_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_pre_consensus from 'CCC(C)OC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 271,579 | consensus_match | altLabel | [] | [{"@value":"(±)-2-Butyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | group_key=sec-butylacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=105-46-4; added Common Chemistry CAS names as altLabel: (±)-2-Butyl acetate, (±)-<em>sec</em>-Butyl acetate, 1-Methylpropyl acetate, 2-Acetoxybutane, 2-Butyl acetate, <em>sec</em>-Butyl acetate, <em>sec</em>-Butyl alcohol acetate, <em>sec</em>-Butyl alcohol, ester with AcOH, <em>sec</em>-Butyl ethanoate, Acetic acid sec-butyl ester, Acetic acid, 1-methylpropyl ester, Acetic acid, <em>sec</em>-butyl ester, NSC 8034, Ultrasolve M 1200; object_uuid=fo-00d5577e263643ee |
| 271,580 | consensus_match | cas_match_labels | — | {"105-46-4":"exactMatch"} | group_key=sec-butylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'105-46-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-00d5577e263643ee: {'105-46-4': 'exactMatch'} |
| 279,647 | 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 'Sec-butylacetate' |
| 286,533 | 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 'CCC(C)OC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,782 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-2-Butyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | [{"@value":"(±)-2-Butyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 8034' (registry code) |
| 384,447 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 394,047 | 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 |
| 403,427 | 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/20260821T1554374006150000/24473 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/24474 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/25684 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/206824 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/206825 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/220841 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/226444 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/248062 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/248063 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/248064 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/254319 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/271579 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/271580 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/279647 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/286533 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/291782 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/384447 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/394047 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/403427 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a724-0050c2490048/v19 |