Tert-butyl Benzenecarboperoxoate
Everything that changed this flow. Back to the flow
3343764a-75c9-4ab1-8555-305c8eefd526
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 10 catalogue altLabel value(s): 'CP 02' (grade code), 'CP 02 (catalyst)' (grade code), 'DN 2062' (grade code), 'Efox 30' (grade code), 'LA 9T' (grade code), 'NSC 674' (registry code), 'T 39170' (grade code), 'TC 5' (grade code), 'TC 5 (vulcanizer)' (grade code), 'V 73' (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=tert-butylbenzenecarboperoxoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'614-45-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec52fa70443abfc5: {'614-45-9': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['614-45-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11966, 53400328]; selected_pubchem_cids=[11966]; 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 |
|---|---|---|---|---|---|
| 1,209 | bootstrap_labels | prefLabel | — | [{"@value":"tert-butyl benzenecarboperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 1,210 | bootstrap_labels | name | tert-butyl benzenecarboperoxoate | — | Purged legacy name field to enforce prefLabel usage |
| 1,211 | bootstrap_labels | synonyms | ["organic","tert-butylperbenzoate","tbpb","trigonoxc"] | [] | Removed legacy synonyms field in favor of structured labels |
| 71,164 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 71,165 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 213,738 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,369 | normalize_name_case | prefLabel | [{"@value":"tert-butyl benzenecarboperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"Tert-butyl Benzenecarboperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,335 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,336 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,337 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.083D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['614-45-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11966, 53400328]; selected_pubchem_cids=[11966]; 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 |
| 248,648 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | rdkit_pre_consensus from 'CC(C)(C)OOC(=O)C1=CC=CC=C1'; added: molecular_mass, monoisotopic_mass |
| 272,314 | consensus_match | altLabel | [] | [{"@value":"<em>t</em>-Butyl peroxybenzoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=tert-butylbenzenecarboperoxoate||dimension=Environmental > media=Air > strata=Unknown; cas=614-45-9; added Common Chemistry CAS names as altLabel: <em>t</em>-Butyl peroxybenzoate, <em>tert</em>-Butyl alcohol, peroxybenzoate, <em>tert</em>-Butyl benzoperoxoate, <em>tert</em>-Butyl benzoyl peroxide, <em>tert</em>-Butyl perbenzoate, <em>tert</em>-Butyl peroxybenzoate, B 802799, Benzenecarboperoxoic acid, 1,1-dimethylethyl ester, Benzoyl <em>tert</em>-butyl peroxide, CP 02, CP 02 (catalyst), Chaloxyd TBPB, Chaloxyd TBPB-HA-M 1, DN 2062, Efox 30, Esperox 10, Interox TBPB-HA-M 1, Kayabutyl B, LA 9T, LQ-TBPB, Link-Cup TBPB, Luperox P, Luperox PXL, NSC 674, Norox TBPB, Perbutyl Z, Peroxan PB, Peroxybenzoic acid, <em>tert</em>-butyl ester, T 39170, TBPB, TBPB-HA-M 1, TBPB-HA-M 3, TC 5, TC 5 (vulcanizer), Trigonox 93, Trigonox C, Trigonox C 50D, V 73; object_uuid=fo-ec52fa70443abfc5 |
| 272,315 | consensus_match | cas_match_labels | — | {"614-45-9":"exactMatch"} | group_key=tert-butylbenzenecarboperoxoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'614-45-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec52fa70443abfc5: {'614-45-9': 'exactMatch'} |
| 273,769 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tert-butyl Benzenecarboperoxoate' |
| 280,148 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | rdkit_post_consensus from 'CC(C)(C)OOC(=O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,492 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>t</em>-Butyl peroxybenzoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"t-Butyl peroxybenzoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 10 catalogue altLabel value(s): 'CP 02' (grade code), 'CP 02 (catalyst)' (grade code), 'DN 2062' (grade code), 'Efox 30' (grade code), 'LA 9T' (grade code), 'NSC 674' (registry code), 'T 39170' (grade code), 'TC 5' (grade code), 'TC 5 (vulcanizer)' (grade code), 'V 73' (grade code) |
| 316,592 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3343764a-75c9-… | associations resolved on the elementary layer |
| 388,045 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14O3"]… | typed the way the ontology types it |
| 394,635 | 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/20260820T1812399309960000/1209 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v0 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v1 |
| ef:activity/change/20260820T1812399309960000/1210 | name | ef:agent/bootstrap_labels | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v1 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v2 |
| ef:activity/change/20260820T1812399309960000/1211 | synonyms | ef:agent/bootstrap_labels | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v2 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v3 |
| ef:activity/change/20260820T1812399309960000/71164 | context | ef:agent/default_context_mapping | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v3 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v4 |
| ef:activity/change/20260820T1812399309960000/71165 | context_iri | ef:agent/default_context_mapping | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v4 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v5 |
| ef:activity/change/20260820T1812399309960000/213738 | unit_iri | ef:agent/unit_normalization | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v5 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v6 |
| ef:activity/change/20260820T1812399309960000/221369 | prefLabel | ef:agent/normalize_name_case | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v6 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v7 |
| ef:activity/change/20260820T1812399309960000/228335 | properties | ef:agent/enrich_references | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v7 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v8 |
| ef:activity/change/20260820T1812399309960000/228336 | skos_definition | ef:agent/enrich_references | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v8 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v9 |
| ef:activity/change/20260820T1812399309960000/228337 | references | ef:agent/enrich_references | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v9 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v10 |
| ef:activity/change/20260820T1812399309960000/248648 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v10 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v11 |
| ef:activity/change/20260820T1812399309960000/272314 | altLabel | ef:agent/consensus_match | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v11 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v12 |
| ef:activity/change/20260820T1812399309960000/272315 | cas_match_labels | ef:agent/consensus_match | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v12 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v13 |
| ef:activity/change/20260820T1812399309960000/273769 | properties | ef:agent/opsin_iupac | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v13 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v14 |
| ef:activity/change/20260820T1812399309960000/280148 | properties | ef:agent/rdkit_post_consensus | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v14 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v15 |
| ef:activity/change/20260820T1812399309960000/287492 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v15 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v16 |
| ef:activity/change/20260820T1812399309960000/316592 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v16 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v17 |
| ef:activity/change/20260820T1812399309960000/388045 | properties | ef:agent/normalise_property_values | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v17 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v18 |
| ef:activity/change/20260820T1812399309960000/394635 | types | ef:agent/link_flows_to_their_substance | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v18 | ef:flow/3343764a-75c9-4ab1-8555-305c8eefd526/v19 |