3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane
Everything that changed this flow. Back to the flow
a86512c5-8e34-4a59-9a67-e3e346e3f7b4
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'T 117' (grade code), 'Trigonox 117' (trade name), 'Tx 117' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'34443-12-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7750b803434acc0f: {'34443-12-4': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['34443-12-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[61931, 5157542, 22245461, 92168490]; selected_pubchem_cids=[61931]; 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 |
|---|---|---|---|---|---|
| 15,283 | bootstrap_labels | prefLabel | — | [{"@value":"3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 15,284 | bootstrap_labels | name | 3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane | — | Purged legacy name field to enforce prefLabel usage |
| 15,285 | bootstrap_labels | synonyms | ["organic","oo-tert-butylo-(2-ethylhexyl)peroxycarbonate","novipermc1","trigonox117"] | [] | Removed legacy synonyms field in favor of structured labels |
| 149,974 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 149,975 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 218,369 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,605 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,606 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,607 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.892C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['34443-12-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[61931, 5157542, 22245461, 92168490]; selected_pubchem_cids=[61931]; 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 |
| 252,473 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)OOC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 261,836 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexyl <em>tert</em>-Butyl peroxy carbonate","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane||dimension=Environmental > media=Air > strata=Long-term; cas=34443-12-4; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl <em>tert</em>-Butyl peroxy carbonate, <em>O</em>-(2-Ethylhexyl) <em>OO</em>-<em>tert</em>-butyl peroxycarbonate, <em>OO</em>-<em>tert</em>-Butyl <em>O</em>-(2-ethylhexyl) peroxycarbonate, <em>OO</em>-<em>tert</em>-butyl <em>O</em>-(2-ethylhexyl) monoperoxycarbonate, <em>tert</em>-Butyl 2-ethylhexyl monopercarbonate, <em>tert</em>-Butyl(2-ethylhexyl)monoperoxycarbonate, <em>tert</em>-Butylperoxy 2-ethylhexyl carbonate, <em>tert</em>-Butylperoxy 2-ethylhexyl monocarbonate, Carbonoperoxoic acid, <em>OO</em>-(1,1-dimethylethyl) <em>O</em>-(2-ethylhexyl) ester, Esperox C 496, Luperox TBEC, Lupersol TBEC, Perbutyl E, Peroxan BEC, Peroxycarbonic acid, <em>OO</em>-<em>tert</em>-butyl <em>O</em>-(2-ethylhexyl) ester, T 117, TBEC, Trigonox 117, Tx 117; object_uuid=fo-7750b803434acc0f |
| 261,837 | consensus_match | cas_match_labels | — | {"34443-12-4":"exactMatch"} | group_key=3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'34443-12-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7750b803434acc0f: {'34443-12-4': 'exactMatch'} |
| 277,669 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'tert-Butylperoxy 2-ethylhexyl carbonate' |
| 284,368 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4",… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)OOOC(C)(C)C'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,681 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | withhold_contradicted_composition: the registry registers [(('C', 13), ('O', 4))], contradicting ['C13H26O5'] from ['rdkit_post_consensus']; withdrew inchi2d_key_string x1, molecular_formula x1, molecular_mass x1, monoisotopic_mass x1 |
| 290,371 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexyl <em>tert</em>-Butyl peroxy carbonate","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"2-Ethylhexyl tert-Butyl peroxy carbonate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 3 catalogue altLabel value(s): 'T 117' (grade code), 'Trigonox 117' (trade name), 'Tx 117' (grade code) |
| 356,009 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a86512c5-8e34-… | associations resolved on the elementary layer |
| 392,023 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O4"]… | typed the way the ontology types it |
| 400,307 | 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/20260821T1554374006150000/15283 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v0 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v1 |
| ef:activity/change/20260821T1554374006150000/15284 | name | ef:agent/bootstrap_labels | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v1 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v2 |
| ef:activity/change/20260821T1554374006150000/15285 | synonyms | ef:agent/bootstrap_labels | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v2 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v3 |
| ef:activity/change/20260821T1554374006150000/149974 | context | ef:agent/default_context_mapping | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v3 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v4 |
| ef:activity/change/20260821T1554374006150000/149975 | context_iri | ef:agent/default_context_mapping | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v4 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v5 |
| ef:activity/change/20260821T1554374006150000/218369 | unit_iri | ef:agent/unit_normalization | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v5 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v6 |
| ef:activity/change/20260821T1554374006150000/241605 | properties | ef:agent/enrich_references | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v6 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v7 |
| ef:activity/change/20260821T1554374006150000/241606 | skos_definition | ef:agent/enrich_references | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v7 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v8 |
| ef:activity/change/20260821T1554374006150000/241607 | references | ef:agent/enrich_references | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v8 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v9 |
| ef:activity/change/20260821T1554374006150000/252473 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v9 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v10 |
| ef:activity/change/20260821T1554374006150000/261836 | altLabel | ef:agent/consensus_match | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v10 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v11 |
| ef:activity/change/20260821T1554374006150000/261837 | cas_match_labels | ef:agent/consensus_match | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v11 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v12 |
| ef:activity/change/20260821T1554374006150000/277669 | properties | ef:agent/opsin_iupac | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v12 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v13 |
| ef:activity/change/20260821T1554374006150000/284368 | properties | ef:agent/rdkit_post_consensus | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v13 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v14 |
| ef:activity/change/20260821T1554374006150000/286681 | properties | ef:agent/withhold_contradicted_composition | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v14 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v15 |
| ef:activity/change/20260821T1554374006150000/290371 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v15 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v16 |
| ef:activity/change/20260821T1554374006150000/356009 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v16 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v17 |
| ef:activity/change/20260821T1554374006150000/392023 | properties | ef:agent/normalise_property_values | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v17 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v18 |
| ef:activity/change/20260821T1554374006150000/400307 | types | ef:agent/link_flows_to_their_substance | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v18 | ef:flow/a86512c5-8e34-4a59-9a67-e3e346e3f7b4/v19 |