Tert-butyl 3,5,5-tris(methylperoxy)hexanoate
Everything that changed this flow. Back to the flow
6646314b-ef02-44d9-bf87-f9474047a1f0
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): 'Luperox 270' (trade name), 'Perbutyl 355' (trade name) |
| 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-butyl3,5,5-tris(methylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'13122-18-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-799d3bb72aab1767: {'13122-18-4': '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 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 agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13122-18-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[114465, 195090, 21900094, 53421917, 91617955]; selected_pubchem_cids=[114465]; 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 |
|---|---|---|---|---|---|
| 20,423 | bootstrap_labels | prefLabel | — | [{"@value":"tert-butyl 3,5,5-tris(methylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 20,424 | bootstrap_labels | name | tert-butyl 3,5,5-tris(methylperoxy)hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 20,425 | bootstrap_labels | synonyms | ["organic","tert-butyl3,5,5-trimethylperoxyhexanoate","3,5,5-trimethylhexaneperoxoicacid1,1-dimethylethylester","hexane… | [] | Removed legacy synonyms field in favor of structured labels |
| 110,692 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 110,693 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,953 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,720 | normalize_name_case | prefLabel | [{"@value":"tert-butyl 3,5,5-tris(methylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Tert-butyl 3,5,5-tris(methylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,050 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,051 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,052 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.395H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['13122-18-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[114465, 195090, 21900094, 53421917, 91617955]; selected_pubchem_cids=[114465]; 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 |
| 253,759 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | rdkit_pre_consensus from 'CC(CC(=O)OOC(C)(C)C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 272,314 | consensus_match | altLabel | [] | [{"@value":"<em>tert</em>-Butyl 3,5,5-trimethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=tert-butyl3,5,5-tris(methylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Long-term; cas=13122-18-4; added Common Chemistry CAS names as altLabel: <em>tert</em>-Butyl 3,5,5-trimethylhexaneperoxoate, <em>tert</em>-Butyl 3,5,5-trimethylhexanoyl peroxide, <em>tert</em>-Butyl 3,5,5-trimethylperoxyhexanoate, <em>tert</em>-Butyl peroxy-3,5,5-trimethylhexanoate, Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester, Luperox 270, Perbutyl 355, Peroxan PIN, Peroxyhexanoic acid, 3,5,5-trimethyl-, <em>tert</em>-butyl ester, Trigonox 42, Trigonox 42-40B, Trigonox 42-50PS, Trigonox 42PR, Trigonox 42S; object_uuid=fo-799d3bb72aab1767 |
| 272,315 | consensus_match | cas_match_labels | — | {"13122-18-4":"exactMatch"} | group_key=tert-butyl3,5,5-tris(methylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'13122-18-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-799d3bb72aab1767: {'13122-18-4': 'exactMatch'} |
| 278,965 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'tert-Butyl 3,5,5-trimethylhexaneperoxoate' |
| 285,782 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | rdkit_post_consensus from 'CC(CC(=O)OOC(C)(C)C)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,322 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>tert</em>-Butyl 3,5,5-trimethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"tert-Butyl 3,5,5-trimethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 2 catalogue altLabel value(s): 'Luperox 270' (trade name), 'Perbutyl 355' (trade name) |
| 336,345 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6646314b-ef02-… | associations resolved on the elementary layer |
| 393,345 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | typed the way the ontology types it |
| 402,258 | 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/20260821T1554374006150000/20423 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v0 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v1 |
| ef:activity/change/20260821T1554374006150000/20424 | name | ef:agent/bootstrap_labels | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v1 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v2 |
| ef:activity/change/20260821T1554374006150000/20425 | synonyms | ef:agent/bootstrap_labels | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v2 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v3 |
| ef:activity/change/20260821T1554374006150000/110692 | context | ef:agent/default_context_mapping | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v3 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v4 |
| ef:activity/change/20260821T1554374006150000/110693 | context_iri | ef:agent/default_context_mapping | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v4 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v5 |
| ef:activity/change/20260821T1554374006150000/219953 | unit_iri | ef:agent/unit_normalization | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v5 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v6 |
| ef:activity/change/20260821T1554374006150000/225720 | prefLabel | ef:agent/normalize_name_case | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v6 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v7 |
| ef:activity/change/20260821T1554374006150000/246050 | properties | ef:agent/enrich_references | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v7 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v8 |
| ef:activity/change/20260821T1554374006150000/246051 | skos_definition | ef:agent/enrich_references | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v8 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v9 |
| ef:activity/change/20260821T1554374006150000/246052 | references | ef:agent/enrich_references | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v9 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v10 |
| ef:activity/change/20260821T1554374006150000/253759 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v10 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v11 |
| ef:activity/change/20260821T1554374006150000/272314 | altLabel | ef:agent/consensus_match | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v11 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v12 |
| ef:activity/change/20260821T1554374006150000/272315 | cas_match_labels | ef:agent/consensus_match | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v12 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v13 |
| ef:activity/change/20260821T1554374006150000/278965 | properties | ef:agent/opsin_iupac | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v13 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v14 |
| ef:activity/change/20260821T1554374006150000/285782 | properties | ef:agent/rdkit_post_consensus | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v14 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v15 |
| ef:activity/change/20260821T1554374006150000/291322 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v15 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v16 |
| ef:activity/change/20260821T1554374006150000/336345 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v16 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v17 |
| ef:activity/change/20260821T1554374006150000/393345 | properties | ef:agent/normalise_property_values | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v17 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v18 |
| ef:activity/change/20260821T1554374006150000/402258 | types | ef:agent/link_flows_to_their_substance | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v18 | ef:flow/6646314b-ef02-44d9-bf87-f9474047a1f0/v19 |