1,1-dimethylpropyl Hydroperoxide
Everything that changed this flow. Back to the flow
d7672f4f-edcd-48a6-867a-019497bc5d9a
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 1 catalogue altLabel value(s): 'TAH 85' (grade 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=1,1-dimethylpropylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3425-61-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f1d88d43a526d655: {'3425-61-4': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3425-61-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[76962]; selected_pubchem_cids=[76962]; 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 |
|---|---|---|---|---|---|
| 1,981 | bootstrap_labels | prefLabel | — | [{"@value":"1,1-dimethylpropyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 1,982 | bootstrap_labels | name | 1,1-dimethylpropyl hydroperoxide | — | Purged legacy name field to enforce prefLabel usage |
| 1,983 | bootstrap_labels | synonyms | ["organic","tert-pentylhydroperoxide","trigonoxtahp"] | [] | Removed legacy synonyms field in favor of structured labels |
| 177,376 | 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 |
| 177,377 | 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 |
| 213,999 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,549 | normalize_name_case | prefLabel | [{"@value":"1,1-dimethylpropyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"1,1-dimethylpropyl Hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,085 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,086 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,087 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J69.507F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3425-61-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[76962]; selected_pubchem_cids=[76962]; 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 |
| 248,863 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | rdkit_pre_consensus from 'CCC(C)(C)OO'; added: molecular_mass, monoisotopic_mass |
| 258,225 | consensus_match | altLabel | [] | [{"@value":"2-Ethyl-2-propyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=1,1-dimethylpropylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; cas=3425-61-4; added Common Chemistry CAS names as altLabel: 2-Ethyl-2-propyl hydroperoxide, 2-Hydroperoxy-2-methylbutane, <em>t</em>-Amyl hydroperoxide, <em>tert</em>-Amyl hydrogen peroxide, <em>tert</em>-Amyl hydroperoxide, <em>tert</em>-Pentyl hydroperoxide, Hydroperoxide, 1,1-dimethylpropyl, Luperox TAH, Luperox TAH 85, Luperox TAHP, Peroxan AHP, TAH 85, Trigonox TAHP, Trigonox TAHP-w 85; object_uuid=fo-f1d88d43a526d655 |
| 258,226 | consensus_match | cas_match_labels | — | {"3425-61-4":"exactMatch"} | group_key=1,1-dimethylpropylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3425-61-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f1d88d43a526d655: {'3425-61-4': 'exactMatch'} |
| 273,983 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1-dimethylpropyl Hydroperoxide' |
| 280,383 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | rdkit_post_consensus from 'CCC(C)(C)OO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,642 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethyl-2-propyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"2-Ethyl-2-propyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 1 catalogue altLabel value(s): 'TAH 85' (grade code) |
| 369,704 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d7672f4f-edcd-… | associations resolved on the elementary layer |
| 388,270 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | typed the way the ontology types it |
| 394,931 | 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/20260820T1812399309960000/1981 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v0 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v1 |
| ef:activity/change/20260820T1812399309960000/1982 | name | ef:agent/bootstrap_labels | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v1 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v2 |
| ef:activity/change/20260820T1812399309960000/1983 | synonyms | ef:agent/bootstrap_labels | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v2 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v3 |
| ef:activity/change/20260820T1812399309960000/177376 | context | ef:agent/default_context_mapping | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v3 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v4 |
| ef:activity/change/20260820T1812399309960000/177377 | context_iri | ef:agent/default_context_mapping | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v4 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v5 |
| ef:activity/change/20260820T1812399309960000/213999 | unit_iri | ef:agent/unit_normalization | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v5 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v6 |
| ef:activity/change/20260820T1812399309960000/221549 | prefLabel | ef:agent/normalize_name_case | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v6 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v7 |
| ef:activity/change/20260820T1812399309960000/229085 | properties | ef:agent/enrich_references | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v7 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v8 |
| ef:activity/change/20260820T1812399309960000/229086 | skos_definition | ef:agent/enrich_references | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v8 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v9 |
| ef:activity/change/20260820T1812399309960000/229087 | references | ef:agent/enrich_references | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v9 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v10 |
| ef:activity/change/20260820T1812399309960000/248863 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v10 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v11 |
| ef:activity/change/20260820T1812399309960000/258225 | altLabel | ef:agent/consensus_match | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v11 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v12 |
| ef:activity/change/20260820T1812399309960000/258226 | cas_match_labels | ef:agent/consensus_match | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v12 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v13 |
| ef:activity/change/20260820T1812399309960000/273983 | properties | ef:agent/opsin_iupac | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v13 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v14 |
| ef:activity/change/20260820T1812399309960000/280383 | properties | ef:agent/rdkit_post_consensus | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v14 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v15 |
| ef:activity/change/20260820T1812399309960000/287642 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v15 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v16 |
| ef:activity/change/20260820T1812399309960000/369704 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v16 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v17 |
| ef:activity/change/20260820T1812399309960000/388270 | properties | ef:agent/normalise_property_values | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v17 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v18 |
| ef:activity/change/20260820T1812399309960000/394931 | types | ef:agent/link_flows_to_their_substance | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v18 | ef:flow/d7672f4f-edcd-48a6-867a-019497bc5d9a/v19 |