1,1,3,3-tetramethylbutyl 2-(ethylperoxy)hexanoate
Everything that changed this flow. Back to the flow
236ea85a-5545-4107-8219-c9ea8069c88d
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 2 catalogue altLabel value(s): 'Lupersol 259' (trade name), 'Trigonox 421' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=1,1,3,3-tetramethylbutyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'22288-43-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a74536ca1265953a: {'22288-43-3': '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=['22288-43-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[90761, 268249, 53421419]; selected_pubchem_cids=[90761]; 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 |
|---|---|---|---|---|---|
| 9,621 | bootstrap_labels | prefLabel | — | [{"@value":"1,1,3,3-tetramethylbutyl 2-(ethylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 9,622 | bootstrap_labels | name | 1,1,3,3-tetramethylbutyl 2-(ethylperoxy)hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 9,623 | bootstrap_labels | synonyms | ["organic","1,1,3,3-tetramethylbutyl2-ethylperoxyhexanoate","trigonox421"] | [] | Removed legacy synonyms field in favor of structured labels |
| 60,184 | 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 |
| 60,185 | 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 |
| 216,536 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,374 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,375 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,376 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.317J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['22288-43-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[90761, 268249, 53421419]; selected_pubchem_cids=[90761]; 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 |
| 250,957 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)OOC(C)(C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 258,168 | consensus_match | altLabel | [] | [{"@value":"1,1,3,3-Tetramethylbutyl 2-ethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=1,1,3,3-tetramethylbutyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=22288-43-3; added Common Chemistry CAS names as altLabel: 1,1,3,3-Tetramethylbutyl 2-ethylhexaneperoxoate, 1,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate, 2-Pentanol, 2,4,4-trimethyl-, 2-ethylperoxyhexanoate, Hexaneperoxoic acid, 2-ethyl-, 1,1,3,3-tetramethylbutyl ester, Kayaester T, Kayaester TMPO, Kayaester TMPO 70, Lupersol 259, Paokuta O, Percure WO, Perocta O, Perocta O 70S, Peroxyhexanoic acid, 2-ethyl-, 1,1,3,3-tetramethylbutyl ester, Trigonox 421; object_uuid=fo-a74536ca1265953a |
| 258,169 | consensus_match | cas_match_labels | — | {"22288-43-3":"exactMatch"} | group_key=1,1,3,3-tetramethylbutyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'22288-43-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a74536ca1265953a: {'22288-43-3': 'exactMatch'} |
| 276,142 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,3,3-Tetramethylbutyl 2-ethylhexaneperoxoate' |
| 282,719 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | rdkit_post_consensus from 'CCCCC(CC)C(=O)OOC(C)(C)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,265 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,3,3-Tetramethylbutyl 2-ethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | [{"@value":"1,1,3,3-Tetramethylbutyl 2-ethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Removed 2 catalogue altLabel value(s): 'Lupersol 259' (trade name), 'Trigonox 421' (trade name) |
| 311,104 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/236ea85a-5545-… | associations resolved on the elementary layer |
| 390,483 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32O3"]… | typed the way the ontology types it |
| 398,109 | 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/20260820T1812399309960000/9621 | prefLabel | ef:agent/bootstrap_labels | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v0 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v1 |
| ef:activity/change/20260820T1812399309960000/9622 | name | ef:agent/bootstrap_labels | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v1 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v2 |
| ef:activity/change/20260820T1812399309960000/9623 | synonyms | ef:agent/bootstrap_labels | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v2 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v3 |
| ef:activity/change/20260820T1812399309960000/60184 | context | ef:agent/default_context_mapping | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v3 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v4 |
| ef:activity/change/20260820T1812399309960000/60185 | context_iri | ef:agent/default_context_mapping | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v4 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v5 |
| ef:activity/change/20260820T1812399309960000/216536 | unit_iri | ef:agent/unit_normalization | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v5 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v6 |
| ef:activity/change/20260820T1812399309960000/236374 | properties | ef:agent/enrich_references | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v6 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v7 |
| ef:activity/change/20260820T1812399309960000/236375 | skos_definition | ef:agent/enrich_references | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v7 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v8 |
| ef:activity/change/20260820T1812399309960000/236376 | references | ef:agent/enrich_references | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v8 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v9 |
| ef:activity/change/20260820T1812399309960000/250957 | properties | ef:agent/rdkit_pre_consensus | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v9 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v10 |
| ef:activity/change/20260820T1812399309960000/258168 | altLabel | ef:agent/consensus_match | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v10 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v11 |
| ef:activity/change/20260820T1812399309960000/258169 | cas_match_labels | ef:agent/consensus_match | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v11 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v12 |
| ef:activity/change/20260820T1812399309960000/276142 | properties | ef:agent/opsin_iupac | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v12 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v13 |
| ef:activity/change/20260820T1812399309960000/282719 | properties | ef:agent/rdkit_post_consensus | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v13 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v14 |
| ef:activity/change/20260820T1812399309960000/289265 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v14 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v15 |
| ef:activity/change/20260820T1812399309960000/311104 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v15 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v16 |
| ef:activity/change/20260820T1812399309960000/390483 | properties | ef:agent/normalise_property_values | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v16 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v17 |
| ef:activity/change/20260820T1812399309960000/398109 | types | ef:agent/link_flows_to_their_substance | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v17 | ef:flow/236ea85a-5545-4107-8219-c9ea8069c88d/v18 |