2,4-bis(1,1-dimethylethyl)phenol
Everything that changed this flow. Back to the flow
d5922339-e041-441c-8b05-4602421d3540
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 174502' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,4-bis(1,1-dimethylethyl)phenol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'96-76-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8128fad4b1badbe2: {'96-76-4': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['96-76-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_89188']; candidate_pubchem_cids=[7311, 123777, 14339290]; selected_pubchem_cids=[7311]; 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 |
|---|---|---|---|---|---|
| 15,130 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 15,131 | bootstrap_labels | name | 2,4-bis(1,1-dimethylethyl)phenol | — | Purged legacy name field to enforce prefLabel usage |
| 15,132 | bootstrap_labels | synonyms | ["organic","2,4-di-tert-butylphenol","2,4-bis(1,1-dimethylethyl)phenol","2,4-bis(tert-butyl)phenol","2,4-di-tert-butylh… | [] | Removed legacy synonyms field in favor of structured labels |
| 176,290 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 176,291 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 218,323 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,475 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,476 | enrich_references | skos_definition | — | [{"@value":"A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4.","@language":"e… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,477 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.557A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['96-76-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_89188']; candidate_pubchem_cids=[7311, 123777, 14339290]; selected_pubchem_cids=[7311]; 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 |
| 252,438 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | rdkit_pre_consensus from 'CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C'; added: monoisotopic_mass |
| 256,393 | chebi_altlabels | altLabel | [] | [{"@value":"1-Hydroxy-2,4-di-tert-butylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,904 | consensus_match | altLabel | [{"@value":"1-Hydroxy-2,4-di-tert-butylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"1-Hydroxy-2,4-di-tert-butylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | group_key=2,4-bis(1,1-dimethylethyl)phenol||dimension=Environmental > media=Water > water_body=Unknown; cas=96-76-4; added Common Chemistry CAS names as altLabel: 2,4-Di-<em>tert</em>-butylhydroxybenzene, 2,4-Di-<em>tert</em>-butylphenol, 2,4-Ditert-butylphenol, Agidol 10, NSC 174502, Phenol, 2,4-bis(1,1-dimethylethyl)-, Phenol, 2,4-di-<em>tert</em>-butyl-; object_uuid=fo-8128fad4b1badbe2 |
| 259,905 | consensus_match | cas_match_labels | — | {"96-76-4":"exactMatch"} | group_key=2,4-bis(1,1-dimethylethyl)phenol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'96-76-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8128fad4b1badbe2: {'96-76-4': 'exactMatch'} |
| 277,631 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-bis(1,1-dimethylethyl)phenol' |
| 284,330 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | rdkit_post_consensus from 'CC(C)(C)c1ccc(O)c(C(C)(C)C)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,343 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Hydroxy-2,4-di-tert-butylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"1-Hydroxy-2,4-di-tert-butylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | Removed 1 catalogue altLabel value(s): 'NSC 174502' (registry code) |
| 369,169 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d5922339-e041-… | associations resolved on the elementary layer |
| 391,986 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H22O"],… | typed the way the ontology types it |
| 400,259 | 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/20260821T1302361922970000/15130 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v0 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v1 |
| ef:activity/change/20260821T1302361922970000/15131 | name | ef:agent/bootstrap_labels | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v1 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v2 |
| ef:activity/change/20260821T1302361922970000/15132 | synonyms | ef:agent/bootstrap_labels | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v2 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v3 |
| ef:activity/change/20260821T1302361922970000/176290 | context | ef:agent/default_context_mapping | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v3 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v4 |
| ef:activity/change/20260821T1302361922970000/176291 | context_iri | ef:agent/default_context_mapping | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v4 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v5 |
| ef:activity/change/20260821T1302361922970000/218323 | unit_iri | ef:agent/unit_normalization | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v5 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v6 |
| ef:activity/change/20260821T1302361922970000/241475 | properties | ef:agent/enrich_references | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v6 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v7 |
| ef:activity/change/20260821T1302361922970000/241476 | skos_definition | ef:agent/enrich_references | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v7 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v8 |
| ef:activity/change/20260821T1302361922970000/241477 | references | ef:agent/enrich_references | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v8 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v9 |
| ef:activity/change/20260821T1302361922970000/252438 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v9 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v10 |
| ef:activity/change/20260821T1302361922970000/256393 | altLabel | ef:agent/chebi_altlabels | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v10 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v11 |
| ef:activity/change/20260821T1302361922970000/259904 | altLabel | ef:agent/consensus_match | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v11 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v12 |
| ef:activity/change/20260821T1302361922970000/259905 | cas_match_labels | ef:agent/consensus_match | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v12 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v13 |
| ef:activity/change/20260821T1302361922970000/277631 | properties | ef:agent/opsin_iupac | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v13 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v14 |
| ef:activity/change/20260821T1302361922970000/284330 | properties | ef:agent/rdkit_post_consensus | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v14 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v15 |
| ef:activity/change/20260821T1302361922970000/290343 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v15 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v16 |
| ef:activity/change/20260821T1302361922970000/369169 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v16 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v17 |
| ef:activity/change/20260821T1302361922970000/391986 | properties | ef:agent/normalise_property_values | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v17 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v18 |
| ef:activity/change/20260821T1302361922970000/400259 | types | ef:agent/link_flows_to_their_substance | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v18 | ef:flow/d5922339-e041-441c-8b05-4602421d3540/v19 |