1,1-bis(tert-butylperoxy)cyclohexane
Everything that changed this flow. Back to the flow
0cbef00a-20df-4252-9779-b66e74aaf0e8
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 12 catalogue altLabel value(s): 'CH 80' (grade code), 'CH 80 (vulcanizer)' (grade code), 'CT 50' (grade code), 'CT 50 (initiator)' (grade code), 'DP 275B' (grade code), 'L 331' (grade code), 'Luperox 331' (trade name), 'Lupersol 321' (trade name), 'Lupersol 331' (trade name), 'PHC 40' (grade code), 'USP 400' (grade code), 'USP 400P' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=1,1-bis(tert-butylperoxy)cyclohexane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3006-86-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-10f72c22d71e46d4: {'3006-86-8': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3006-86-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[76359, 215809]; selected_pubchem_cids=[76359]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,206 | bootstrap_labels | prefLabel | — | [{"@value":"1,1-bis(tert-butylperoxy)cyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 11,207 | bootstrap_labels | name | 1,1-bis(tert-butylperoxy)cyclohexane | — | Purged legacy name field to enforce prefLabel usage |
| 11,208 | bootstrap_labels | synonyms | ["organic","cyclohexylidenebis[tert-butyl]peroxide","ch-50-al","ch-50-wo","ch-80-al","enoxâ®ch","trigonox22"] | [] | Removed legacy synonyms field in favor of structured labels |
| 43,988 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 43,989 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 217,059 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,848 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,849 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,850 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.394J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3006-86-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[76359, 215809]; selected_pubchem_cids=[76359]; 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 |
| 251,387 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | rdkit_pre_consensus from 'CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 258,204 | consensus_match | altLabel | [] | [{"@value":"1,1-Bis(1,1-dimethylethylperoxy)cyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=1,1-bis(tert-butylperoxy)cyclohexane||dimension=Environmental > media=Water > water_body=Unknown; cas=3006-86-8; added Common Chemistry CAS names as altLabel: 1,1-Bis(1,1-dimethylethylperoxy)cyclohexane, 1,1-Bis(<em>tert</em>-butyldioxy)cyclohexane, 1,1-Bis(t-butylperoxy)cyclohexane, 1,1-Di(<em>t</em>-butylperoxy)cyclohexane, 1,1-di(<em>tert</em>-Butylperoxy)cyclohexane, 1,1′-Cyclohexylidenebis[2-(1,1-dimethylethyl) peroxide], CH 50-AL, CH 80, CH 80 (vulcanizer), CH 80MO, CT 50, CT 50 (initiator), Chaloxyd P 1250AL, D 118378, DP 275B, L 331, Luperco 331XL, Luperox 331, Luperox 331M50, Luperox 331M70, Luperox 331M80, Luperox 331P80, Luperox 331XL, Lupersol 321, Lupersol 331, Lupersol 331-80B, PHC 40, Perhexa C, Perhexa C 40, Perhexa C 40MB, Perhexa C 75, Perhexa C 79S, Perhexa C 80, Perhexa CS, Peroxan PK 122W, Peroxide, 1,1′-cyclohexylidenebis[2-(1,1-dimethylethyl), Peroxide, cyclohexylidenebis[(1,1-dimethylethyl), Peroxide, cyclohexylidenebis[<em>tert</em>-butyl, Trigonox 22, Trigonox 22-40D, Trigonox 22-70E, Trigonox 22B50, Trigonox 22B75, Trigonox 22C50, Trigonox 22E50, Trigonox 22E70, Tx 22E50, USP 400, USP 400P; object_uuid=fo-10f72c22d71e46d4 |
| 258,205 | consensus_match | cas_match_labels | — | {"3006-86-8":"exactMatch"} | group_key=1,1-bis(tert-butylperoxy)cyclohexane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3006-86-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-10f72c22d71e46d4: {'3006-86-8': 'exactMatch'} |
| 276,583 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1-bis(tert-butylperoxy)cyclohexane' |
| 283,199 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | rdkit_post_consensus from 'CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,598 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1-Bis(1,1-dimethylethylperoxy)cyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"1,1-Bis(1,1-dimethylethylperoxy)cyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 12 catalogue altLabel value(s): 'CH 80' (grade code), 'CH 80 (vulcanizer)' (grade code), 'CT 50' (grade code), 'CT 50 (initiator)' (grade code), 'DP 275B' (grade code), 'L 331' (grade code), 'Luperox 331' (trade name), 'Lupersol 321' (trade name), 'Lupersol 331' (trade name), 'PHC 40' (grade code), 'USP 400' (grade code), 'USP 400P' (grade code) |
| 303,042 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0cbef00a-20df-… | associations resolved on the elementary layer |
| 390,940 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | typed the way the ontology types it |
| 398,760 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T1555490862250000/11206 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v0 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v1 |
| ef:activity/change/20260820T1555490862250000/11207 | name | ef:agent/bootstrap_labels | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v1 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v2 |
| ef:activity/change/20260820T1555490862250000/11208 | synonyms | ef:agent/bootstrap_labels | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v2 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v3 |
| ef:activity/change/20260820T1555490862250000/43988 | context | ef:agent/default_context_mapping | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v3 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v4 |
| ef:activity/change/20260820T1555490862250000/43989 | context_iri | ef:agent/default_context_mapping | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v4 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v5 |
| ef:activity/change/20260820T1555490862250000/217059 | unit_iri | ef:agent/unit_normalization | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v5 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v6 |
| ef:activity/change/20260820T1555490862250000/237848 | properties | ef:agent/enrich_references | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v6 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v7 |
| ef:activity/change/20260820T1555490862250000/237849 | skos_definition | ef:agent/enrich_references | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v7 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v8 |
| ef:activity/change/20260820T1555490862250000/237850 | references | ef:agent/enrich_references | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v8 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v9 |
| ef:activity/change/20260820T1555490862250000/251387 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v9 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v10 |
| ef:activity/change/20260820T1555490862250000/258204 | altLabel | ef:agent/consensus_match | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v10 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v11 |
| ef:activity/change/20260820T1555490862250000/258205 | cas_match_labels | ef:agent/consensus_match | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v11 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v12 |
| ef:activity/change/20260820T1555490862250000/276583 | properties | ef:agent/opsin_iupac | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v12 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v13 |
| ef:activity/change/20260820T1555490862250000/283199 | properties | ef:agent/rdkit_post_consensus | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v13 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v14 |
| ef:activity/change/20260820T1555490862250000/289598 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v14 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v15 |
| ef:activity/change/20260820T1555490862250000/303042 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v15 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v16 |
| ef:activity/change/20260820T1555490862250000/390940 | properties | ef:agent/normalise_property_values | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v16 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v17 |
| ef:activity/change/20260820T1555490862250000/398760 | types | ef:agent/link_flows_to_their_substance | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v17 | ef:flow/0cbef00a-20df-4252-9779-b66e74aaf0e8/v18 |