Bis(2,4,4-trimethylpentyl)peroxyanhydride
Everything that changed this flow. Back to the flow
b692bb5a-07c6-4711-9665-c6fb169106ca
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 6 catalogue altLabel value(s): 'Lup 219' (grade code), 'Luperox 219' (trade name), 'Peroyl 355' (trade name), 'Peroyl 355S' (trade name), 'TX 36' (grade code), 'USP 355M' (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=bis(2,4,4-trimethylpentyl)peroxyanhydride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'3851-87-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-38ca4e89aa962456: {'3851-87-4': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3851-87-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[107176, 248497, 98080106, 169544540]; selected_pubchem_cids=[107176]; 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 |
|---|---|---|---|---|---|
| 15,934 | bootstrap_labels | prefLabel | — | [{"@value":"bis(2,4,4-trimethylpentyl)peroxyanhydride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 15,935 | bootstrap_labels | name | bis(2,4,4-trimethylpentyl)peroxyanhydride | — | Purged legacy name field to enforce prefLabel usage |
| 15,936 | bootstrap_labels | synonyms | ["organic","bis(3,5,5-trimethylhexanoyl)peroxide","trigonox36"] | [] | Removed legacy synonyms field in favor of structured labels |
| 158,184 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 158,185 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 218,575 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,754 | normalize_name_case | prefLabel | [{"@value":"bis(2,4,4-trimethylpentyl)peroxyanhydride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"Bis(2,4,4-trimethylpentyl)peroxyanhydride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,185 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,186 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,187 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.259I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3851-87-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[107176, 248497, 98080106, 169544540]; selected_pubchem_cids=[107176]; 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 |
| 252,643 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | rdkit_pre_consensus from 'CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 264,298 | consensus_match | altLabel | [] | [{"@value":"3,5,5-Trimethylhexanoyl peroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=bis(2,4,4-trimethylpentyl)peroxyanhydride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3851-87-4; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylhexanoyl peroxide, Bis(3,5,5-trimethyl-1-oxohexyl) peroxide, Bis(3,5,5-trimethylhexanoyl) peroxide, Lup 219, Luperox 219, Peroxide, bis(3,5,5-trimethyl-1-oxohexyl), Peroxide, bis(3,5,5-trimethylhexanoyl), Peroyl 355, Peroyl 355-75 (<em>S</em>), Peroyl 355S, TX 36, Trigonox 36, Trigonox 36C75, USP 355M; object_uuid=fo-38ca4e89aa962456 |
| 264,299 | consensus_match | cas_match_labels | — | {"3851-87-4":"exactMatch"} | group_key=bis(2,4,4-trimethylpentyl)peroxyanhydride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'3851-87-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-38ca4e89aa962456: {'3851-87-4': 'exactMatch'} |
| 277,849 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,5,5-Trimethylhexanoyl peroxide' |
| 284,557 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | rdkit_post_consensus from 'CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,502 | strip_catalogue_altlabels | altLabel | [{"@value":"3,5,5-Trimethylhexanoyl peroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"3,5,5-Trimethylhexanoyl peroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Removed 6 catalogue altLabel value(s): 'Lup 219' (grade code), 'Luperox 219' (trade name), 'Peroyl 355' (trade name), 'Peroyl 355S' (trade name), 'TX 36' (grade code), 'USP 355M' (grade code) |
| 360,116 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b692bb5a-07c6-… | associations resolved on the elementary layer |
| 392,206 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4"]… | typed the way the ontology types it |
| 400,555 | 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/20260821T1554374006150000/15934 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v0 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v1 |
| ef:activity/change/20260821T1554374006150000/15935 | name | ef:agent/bootstrap_labels | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v1 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v2 |
| ef:activity/change/20260821T1554374006150000/15936 | synonyms | ef:agent/bootstrap_labels | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v2 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v3 |
| ef:activity/change/20260821T1554374006150000/158184 | context | ef:agent/default_context_mapping | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v3 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v4 |
| ef:activity/change/20260821T1554374006150000/158185 | context_iri | ef:agent/default_context_mapping | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v4 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v5 |
| ef:activity/change/20260821T1554374006150000/218575 | unit_iri | ef:agent/unit_normalization | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v5 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v6 |
| ef:activity/change/20260821T1554374006150000/224754 | prefLabel | ef:agent/normalize_name_case | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v6 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v7 |
| ef:activity/change/20260821T1554374006150000/242185 | properties | ef:agent/enrich_references | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v7 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v8 |
| ef:activity/change/20260821T1554374006150000/242186 | skos_definition | ef:agent/enrich_references | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v8 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v9 |
| ef:activity/change/20260821T1554374006150000/242187 | references | ef:agent/enrich_references | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v9 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v10 |
| ef:activity/change/20260821T1554374006150000/252643 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v10 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v11 |
| ef:activity/change/20260821T1554374006150000/264298 | altLabel | ef:agent/consensus_match | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v11 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v12 |
| ef:activity/change/20260821T1554374006150000/264299 | cas_match_labels | ef:agent/consensus_match | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v12 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v13 |
| ef:activity/change/20260821T1554374006150000/277849 | properties | ef:agent/opsin_iupac | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v13 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v14 |
| ef:activity/change/20260821T1554374006150000/284557 | properties | ef:agent/rdkit_post_consensus | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v14 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v15 |
| ef:activity/change/20260821T1554374006150000/290502 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v15 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v16 |
| ef:activity/change/20260821T1554374006150000/360116 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v16 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v17 |
| ef:activity/change/20260821T1554374006150000/392206 | properties | ef:agent/normalise_property_values | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v17 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v18 |
| ef:activity/change/20260821T1554374006150000/400555 | types | ef:agent/link_flows_to_their_substance | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v18 | ef:flow/b692bb5a-07c6-4711-9665-c6fb169106ca/v19 |