Tert-butyl Hydroperoxide
Everything that changed this flow. Back to the flow
20212b49-6e63-48ee-8919-a48f258dd0b0
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'H 70' (grade code), 'NSC 672' (registry 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-butylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-91-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2eddb068b502d37a: {'75-91-2': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-91-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_64090']; candidate_pubchem_cids=[6410, 97041]; selected_pubchem_cids=[6410]; 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 |
|---|---|---|---|---|---|
| 18,068 | bootstrap_labels | prefLabel | — | [{"@value":"tert-butyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 18,069 | bootstrap_labels | name | tert-butyl hydroperoxide | — | Purged legacy name field to enforce prefLabel usage |
| 18,070 | bootstrap_labels | synonyms | ["1,1-Dimethylethyl hydroperoxide","1,1-Dimethylethylhydroperoxide","2-Hydroperoxy-2-methylpropane","AB1003654","AC1L1M… | [] | Removed legacy synonyms field in favor of structured labels |
| 58,248 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 58,249 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 219,253 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,217 | normalize_name_case | prefLabel | [{"@value":"tert-butyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Tert-butyl Hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,096 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,097 | enrich_references | skos_definition | — | [{"@value":"An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,098 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.397C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['75-91-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_64090']; candidate_pubchem_cids=[6410, 97041]; selected_pubchem_cids=[6410]; 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 |
| 256,762 | chebi_altlabels | altLabel | [] | [{"@value":"1,1-Dimethylethyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,320 | consensus_match | altLabel | [{"@value":"1,1-Dimethylethyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"1,1-Dimethylethyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | group_key=tert-butylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; cas=75-91-2; added Common Chemistry CAS names as altLabel: 2-Methylpropane-2-peroxol, <em>tert</em>-Butyl hydrogen peroxide, Cadox TBH, H 70, Hydroperoxide, 1,1-dimethylethyl, Kayabutyl H, Kayabutyl H 70, Luperox H 70, Luperox TBH, Luperox TBH 68X, Luperox TBH 70X, Luperox TBHP, MeSH ID: D020122, NSC 672, Perbutyl H, Perbutyl H 69, Perbutyl H 69T, Perbutyl H 80, Peroxan BHP 10, T-HYDRO, Trigonox A-W 70; object_uuid=fo-2eddb068b502d37a |
| 272,321 | consensus_match | cas_match_labels | — | {"75-91-2":"exactMatch"} | group_key=tert-butylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-91-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2eddb068b502d37a: {'75-91-2': 'exactMatch'} |
| 278,400 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tert-butyl Hydroperoxide' |
| 285,159 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | rdkit_post_consensus from 'CC(C)(C)OO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,898 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1-Dimethylethyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"1,1-Dimethylethyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Removed 2 catalogue altLabel value(s): 'H 70' (grade code), 'NSC 672' (registry code) |
| 310,146 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/20212b49-6e63-… | associations resolved on the elementary layer |
| 392,765 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | typed the way the ontology types it |
| 401,390 | 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/20260821T1302361922970000/18068 | prefLabel | ef:agent/bootstrap_labels | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v0 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v1 |
| ef:activity/change/20260821T1302361922970000/18069 | name | ef:agent/bootstrap_labels | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v1 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v2 |
| ef:activity/change/20260821T1302361922970000/18070 | synonyms | ef:agent/bootstrap_labels | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v2 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v3 |
| ef:activity/change/20260821T1302361922970000/58248 | context | ef:agent/default_context_mapping | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v3 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v4 |
| ef:activity/change/20260821T1302361922970000/58249 | context_iri | ef:agent/default_context_mapping | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v4 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v5 |
| ef:activity/change/20260821T1302361922970000/219253 | unit_iri | ef:agent/unit_normalization | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v5 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v6 |
| ef:activity/change/20260821T1302361922970000/225217 | prefLabel | ef:agent/normalize_name_case | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v6 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v7 |
| ef:activity/change/20260821T1302361922970000/244096 | properties | ef:agent/enrich_references | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v7 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v8 |
| ef:activity/change/20260821T1302361922970000/244097 | skos_definition | ef:agent/enrich_references | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v8 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v9 |
| ef:activity/change/20260821T1302361922970000/244098 | references | ef:agent/enrich_references | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v9 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v10 |
| ef:activity/change/20260821T1302361922970000/256762 | altLabel | ef:agent/chebi_altlabels | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v10 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v11 |
| ef:activity/change/20260821T1302361922970000/272320 | altLabel | ef:agent/consensus_match | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v11 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v12 |
| ef:activity/change/20260821T1302361922970000/272321 | cas_match_labels | ef:agent/consensus_match | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v12 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v13 |
| ef:activity/change/20260821T1302361922970000/278400 | properties | ef:agent/opsin_iupac | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v13 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v14 |
| ef:activity/change/20260821T1302361922970000/285159 | properties | ef:agent/rdkit_post_consensus | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v14 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v15 |
| ef:activity/change/20260821T1302361922970000/290898 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v15 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v16 |
| ef:activity/change/20260821T1302361922970000/310146 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v16 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v17 |
| ef:activity/change/20260821T1302361922970000/392765 | properties | ef:agent/normalise_property_values | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v17 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v18 |
| ef:activity/change/20260821T1302361922970000/401390 | types | ef:agent/link_flows_to_their_substance | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v18 | ef:flow/20212b49-6e63-48ee-8919-a48f258dd0b0/v19 |