Tert-butyl 2-ethylperoxyhexanoate
Everything that changed this flow. Back to the flow
608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951
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 1 catalogue altLabel value(s): 'T 21S' (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-butyl2-ethylperoxyhexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3006-82-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dc6021c5cfa39bb5: {'3006-82-4': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3006-82-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[102924, 121794, 18959084, 53421915]; selected_pubchem_cids=[102924]; 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 |
|---|---|---|---|---|---|
| 10,732 | bootstrap_labels | prefLabel | — | [{"@value":"tert-butyl 2-ethylperoxyhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 10,733 | bootstrap_labels | name | tert-butyl 2-ethylperoxyhexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 10,734 | bootstrap_labels | synonyms | ["organic","tert-butyl2-ethylperoxyhexanoate","kayaestero,trigonox21","tbpeh","tert.-butylperoxy-2-ethylhexanoat","trig… | [] | Removed legacy synonyms field in favor of structured labels |
| 107,148 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 107,149 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,897 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,600 | normalize_name_case | prefLabel | [{"@value":"tert-butyl 2-ethylperoxyhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Tert-butyl 2-ethylperoxyhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,395 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,396 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,397 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.044I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3006-82-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[102924, 121794, 18959084, 53421915]; selected_pubchem_cids=[102924]; 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 |
| 251,248 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)OOC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 272,308 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexanoyl tert-butyl peroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=tert-butyl2-ethylperoxyhexanoate||dimension=Environmental > media=Air > strata=Long-term; cas=3006-82-4; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoyl tert-butyl peroxide, <em>tert</em>-Buty-peroxy 2-ethylhexanoate, <em>tert</em>-Butyl 2-ethylhexaneperoxoate, <em>tert</em>-Butyl 2-ethylperhexanoate, <em>tert</em>-Butyl peroxy-2-ethylhexanoate, Chaloxyd P 1310, Chaloxyd P 1327, Chemax-Bo, Esperox 28, Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester, Interox TBPEH, LQ-TBPEH, Luperox 26, Luperox 26M50, Lupersol PDO, Lupersol PMS, Perbutyl O, Percure O, Peroxyhexanoic acid, 2-ethyl-, <em>tert</em>-butyl ester, T 21S, T 859836, TBPEH-LA-M 2, Trigonox 21, Trigonox 210P50, Trigonox 21C50, Trigonox 21C70, Trigonox 21LS, Trigonox 21OP050, Trigonox 21S, Trigonox T 21S, curing agent OT; object_uuid=fo-dc6021c5cfa39bb5 |
| 272,309 | consensus_match | cas_match_labels | — | {"3006-82-4":"exactMatch"} | group_key=tert-butyl2-ethylperoxyhexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3006-82-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dc6021c5cfa39bb5: {'3006-82-4': 'exactMatch'} |
| 276,430 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tert-butyl 2-ethylperoxyhexanoate' |
| 283,034 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | rdkit_post_consensus from 'CCCCC(CC)C(=O)OOC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,481 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexanoyl tert-butyl peroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"2-Ethylhexanoyl tert-butyl peroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'T 21S' (grade code) |
| 334,570 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/608cdc4f-6dd2-… | associations resolved on the elementary layer |
| 390,784 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3"]… | typed the way the ontology types it |
| 398,550 | 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/20260821T1122181958110000/10732 | prefLabel | ef:agent/bootstrap_labels | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v0 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v1 |
| ef:activity/change/20260821T1122181958110000/10733 | name | ef:agent/bootstrap_labels | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v1 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v2 |
| ef:activity/change/20260821T1122181958110000/10734 | synonyms | ef:agent/bootstrap_labels | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v2 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v3 |
| ef:activity/change/20260821T1122181958110000/107148 | context | ef:agent/default_context_mapping | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v3 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v4 |
| ef:activity/change/20260821T1122181958110000/107149 | context_iri | ef:agent/default_context_mapping | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v4 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v5 |
| ef:activity/change/20260821T1122181958110000/216897 | unit_iri | ef:agent/unit_normalization | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v5 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v6 |
| ef:activity/change/20260821T1122181958110000/223600 | prefLabel | ef:agent/normalize_name_case | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v6 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v7 |
| ef:activity/change/20260821T1122181958110000/237395 | properties | ef:agent/enrich_references | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v7 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v8 |
| ef:activity/change/20260821T1122181958110000/237396 | skos_definition | ef:agent/enrich_references | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v8 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v9 |
| ef:activity/change/20260821T1122181958110000/237397 | references | ef:agent/enrich_references | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v9 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v10 |
| ef:activity/change/20260821T1122181958110000/251248 | properties | ef:agent/rdkit_pre_consensus | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v10 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v11 |
| ef:activity/change/20260821T1122181958110000/272308 | altLabel | ef:agent/consensus_match | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v11 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v12 |
| ef:activity/change/20260821T1122181958110000/272309 | cas_match_labels | ef:agent/consensus_match | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v12 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v13 |
| ef:activity/change/20260821T1122181958110000/276430 | properties | ef:agent/opsin_iupac | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v13 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v14 |
| ef:activity/change/20260821T1122181958110000/283034 | properties | ef:agent/rdkit_post_consensus | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v14 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v15 |
| ef:activity/change/20260821T1122181958110000/289481 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v15 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v16 |
| ef:activity/change/20260821T1122181958110000/334570 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v16 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v17 |
| ef:activity/change/20260821T1122181958110000/390784 | properties | ef:agent/normalise_property_values | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v17 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v18 |
| ef:activity/change/20260821T1122181958110000/398550 | types | ef:agent/link_flows_to_their_substance | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v18 | ef:flow/608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951/v19 |