Isobutyl Acetate
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a43c-0050c2490048
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 8035' (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=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-19-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ea8ca38c3051cf0: {'110-19-0': '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 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=['110-19-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50569']; candidate_pubchem_cids=[8038, 30931, 4275592]; selected_pubchem_cids=[8038]; 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 |
|---|---|---|---|---|---|
| 7,640 | bootstrap_labels | prefLabel | — | [{"@value":"isobutyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 7,641 | bootstrap_labels | name | isobutyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 7,642 | bootstrap_labels | synonyms | [".beta.-Methylpropyl ethanoate","2-Methyl-1-propyl acetate","2-Methylpropyl acetate","2-Methylpropyl ethanoate","A0034… | [] | Removed legacy synonyms field in favor of structured labels |
| 205,378 | 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) |
| 205,379 | 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) |
| 215,890 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,876 | normalize_name_case | prefLabel | [{"@value":"isobutyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Isobutyl 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) |
| 234,495 | 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) |
| 234,496 | enrich_references | skos_definition | — | [{"@value":"The acetate ester of isobutanol.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_references.c… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,497 | enrich_references | references | [] | [{"@id":"gmelin:101394","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['110-19-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50569']; candidate_pubchem_cids=[8038, 30931, 4275592]; selected_pubchem_cids=[8038]; 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 |
| 255,407 | chebi_altlabels | altLabel | [] | [{"@value":"2-methyl-1-propyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,061 | consensus_match | altLabel | [{"@value":"2-methyl-1-propyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-methyl-1-propyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=110-19-0; added Common Chemistry CAS names as altLabel: NSC 8035, β-Methylpropyl ethanoate; object_uuid=fo-8ea8ca38c3051cf0 |
| 268,062 | consensus_match | cas_match_labels | — | {"110-19-0":"exactMatch"} | group_key=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-19-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ea8ca38c3051cf0: {'110-19-0': 'exactMatch'} |
| 275,583 | 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 'Isobutyl Acetate' |
| 282,112 | 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 'CC(=O)OCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,829 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methyl-1-propyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-methyl-1-propyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 8035' (registry code) |
| 383,724 | 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 |
| 389,901 | 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 |
| 397,277 | 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/20260822T0600486828500000/7640 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/7641 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/7642 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/205378 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/205379 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/215890 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/222876 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/234495 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/234496 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/234497 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/255407 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/268061 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/268062 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/275583 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/282112 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/288829 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/383724 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/389901 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/397277 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a43c-0050c2490048/v19 |