1,1,3,3-tetramethylbutyl Hydroperoxide
Everything that changed this flow. Back to the flow
be17e086-c2d0-477a-adbf-036edbe42cf7
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 215' (trade name), 'Lupersol 215' (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=1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5809-08-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2da051ef913908b5: {'5809-08-5': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5809-08-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[66821, 79877, 135446793]; selected_pubchem_cids=[79877]; 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 |
|---|---|---|---|---|---|
| 417 | bootstrap_labels | prefLabel | — | [{"@value":"1,1,3,3-tetramethylbutyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 418 | bootstrap_labels | name | 1,1,3,3-tetramethylbutyl hydroperoxide | — | Purged legacy name field to enforce prefLabel usage |
| 419 | bootstrap_labels | synonyms | ["organic","1,1,3,3-tetramethylbutylhydroperoxide","trigonoxtmbh-l"] | [] | Removed legacy synonyms field in favor of structured labels |
| 162,476 | 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 |
| 162,477 | 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 |
| 213,478 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,190 | normalize_name_case | prefLabel | [{"@value":"1,1,3,3-tetramethylbutyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"1,1,3,3-tetramethylbutyl Hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,568 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,569 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,570 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.272F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['5809-08-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[66821, 79877, 135446793]; selected_pubchem_cids=[79877]; 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 |
| 248,429 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | rdkit_pre_consensus from 'CC(C)(C)CC(C)(C)OO'; added: molecular_mass, monoisotopic_mass |
| 258,188 | consensus_match | altLabel | [] | [{"@value":"2,4,4-Trimethyl-2-hydroperoxypentane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Air > indoor=Unknown; cas=5809-08-5; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethyl-2-hydroperoxypentane, 2,4,4-Trimethyl-2-pentyl hydroperoxide, 2-Neopentyl-2-propyl hydroperoxide, <em>tert</em>-Octyl hydroperoxide, Hydroperoxide, 1,1,3,3-tetramethylbutyl, Luperox 215, Lupersol 215, Perocta H, Trigonox TMBH, Trigonox TMBH-L, Trigonox TMPH; object_uuid=fo-2da051ef913908b5 |
| 258,189 | consensus_match | cas_match_labels | — | {"5809-08-5":"exactMatch"} | group_key=1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5809-08-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2da051ef913908b5: {'5809-08-5': 'exactMatch'} |
| 273,571 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,3,3-tetramethylbutyl Hydroperoxide' |
| 279,929 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | rdkit_post_consensus from 'CC(C)(C)CC(C)(C)OO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,353 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4,4-Trimethyl-2-hydroperoxypentane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"2,4,4-Trimethyl-2-hydroperoxypentane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 2 catalogue altLabel value(s): 'Luperox 215' (trade name), 'Lupersol 215' (trade name) |
| 362,285 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/be17e086-c2d0-… | associations resolved on the elementary layer |
| 387,848 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | typed the way the ontology types it |
| 394,352 | 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/20260820T1555490862250000/417 | prefLabel | ef:agent/bootstrap_labels | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v0 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v1 |
| ef:activity/change/20260820T1555490862250000/418 | name | ef:agent/bootstrap_labels | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v1 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v2 |
| ef:activity/change/20260820T1555490862250000/419 | synonyms | ef:agent/bootstrap_labels | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v2 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v3 |
| ef:activity/change/20260820T1555490862250000/162476 | context | ef:agent/default_context_mapping | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v3 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v4 |
| ef:activity/change/20260820T1555490862250000/162477 | context_iri | ef:agent/default_context_mapping | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v4 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v5 |
| ef:activity/change/20260820T1555490862250000/213478 | unit_iri | ef:agent/unit_normalization | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v5 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v6 |
| ef:activity/change/20260820T1555490862250000/221190 | prefLabel | ef:agent/normalize_name_case | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v6 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v7 |
| ef:activity/change/20260820T1555490862250000/227568 | properties | ef:agent/enrich_references | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v7 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v8 |
| ef:activity/change/20260820T1555490862250000/227569 | skos_definition | ef:agent/enrich_references | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v8 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v9 |
| ef:activity/change/20260820T1555490862250000/227570 | references | ef:agent/enrich_references | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v9 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v10 |
| ef:activity/change/20260820T1555490862250000/248429 | properties | ef:agent/rdkit_pre_consensus | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v10 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v11 |
| ef:activity/change/20260820T1555490862250000/258188 | altLabel | ef:agent/consensus_match | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v11 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v12 |
| ef:activity/change/20260820T1555490862250000/258189 | cas_match_labels | ef:agent/consensus_match | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v12 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v13 |
| ef:activity/change/20260820T1555490862250000/273571 | properties | ef:agent/opsin_iupac | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v13 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v14 |
| ef:activity/change/20260820T1555490862250000/279929 | properties | ef:agent/rdkit_post_consensus | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v14 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v15 |
| ef:activity/change/20260820T1555490862250000/287353 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v15 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v16 |
| ef:activity/change/20260820T1555490862250000/362285 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v16 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v17 |
| ef:activity/change/20260820T1555490862250000/387848 | properties | ef:agent/normalise_property_values | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v17 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v18 |
| ef:activity/change/20260820T1555490862250000/394352 | types | ef:agent/link_flows_to_their_substance | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v18 | ef:flow/be17e086-c2d0-477a-adbf-036edbe42cf7/v19 |