2,5-dimethylhexane-2,5-diyl Bis[2-(ethylperoxy)hexanoate]
Everything that changed this flow. Back to the flow
98f20340-8f86-4308-b054-a7a9a325ca6b
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 6 catalogue altLabel value(s): 'L 256' (grade code), 'Luperox 256' (trade name), 'Lupersol 256' (trade name), 'Perhexa 250' (trade name), 'Trigonox 141' (trade name), 'USP 245' (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=2,5-dimethylhexane-2,5-diylbis[2-(ethylperoxy)hexanoate]||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'13052-09-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8797a9de14ed7266: {'13052-09-0': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13052-09-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[114448, 737467]; selected_pubchem_cids=[114448]; 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 |
|---|---|---|---|---|---|
| 10,578 | bootstrap_labels | prefLabel | — | [{"@value":"2,5-dimethylhexane-2,5-diyl bis[2-(ethylperoxy)hexanoate]","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 10,579 | bootstrap_labels | name | 2,5-dimethylhexane-2,5-diyl bis[2-(ethylperoxy)hexanoate] | — | Purged legacy name field to enforce prefLabel usage |
| 10,580 | bootstrap_labels | synonyms | ["organic","1,1,4,4-tetramethylbutane-1,4-diylbis(2-ethylperoxyhexanoate)","trigonox141"] | [] | Removed legacy synonyms field in favor of structured labels |
| 140,634 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 140,635 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,848 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,568 | normalize_name_case | prefLabel | [{"@value":"2,5-dimethylhexane-2,5-diyl bis[2-(ethylperoxy)hexanoate]","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"2,5-dimethylhexane-2,5-diyl Bis[2-(ethylperoxy)hexanoate]","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,254 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,255 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,256 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.314E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['13052-09-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[114448, 737467]; selected_pubchem_cids=[114448]; 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 |
| 251,206 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC'; added: molecular_mass, monoisotopic_mass |
| 260,042 | consensus_match | altLabel | [] | [{"@value":"2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=2,5-dimethylhexane-2,5-diylbis[2-(ethylperoxy)hexanoate]||dimension=Environmental > media=Water > water_body=Ocean; cas=13052-09-0; added Common Chemistry CAS names as altLabel: 2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane, 2,5-Di(2-ethylhexanoylperoxy)-2,5-dimethylhexane, 2,5-Dimethyl-2,5-bis(2-ethylhexanoylperoxy)hexane, 2,5-Dimethyl-2,5-hexanediol bis(2-ethylperoxyhexanoate), 2,5-Dimethyl-2,5-hexanediyl bis(2-ethylhexaneperoxoate), 2,5-Dimethylhexane-2,5-diperoxy-2-ethylhexanoate, 2,5-Hexanediol, 2,5-dimethyl-, bis(2-ethylperoxyhexanoate), Hexaneperoxoic acid, 2-ethyl-, 1,1,4,4-tetramethyl-1,4-butanediyl ester, Hexaneperoxoic acid, 2-ethyl-, <em>OO</em><sup>1</sup>,<em>OO</em><sup>1′</sup>-(1,1,4,4-tetramethyl-1,4-butanediyl) ester, Kayaester AO, L 256, Luperox 256, Lupersol 256, Perhexa 250, Perhexa 25O, Peroxyhexanoic acid, 2-ethyl-, 1,1,4,4-tetramethyltetramethylene ester, Trigonox 141, USP 245; object_uuid=fo-8797a9de14ed7266 |
| 260,043 | consensus_match | cas_match_labels | — | {"13052-09-0":"exactMatch"} | group_key=2,5-dimethylhexane-2,5-diylbis[2-(ethylperoxy)hexanoate]||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'13052-09-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8797a9de14ed7266: {'13052-09-0': 'exactMatch'} |
| 276,391 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane' |
| 282,991 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | rdkit_post_consensus from 'CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,458 | strip_catalogue_altlabels | altLabel | [{"@value":"2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consen… | Removed 6 catalogue altLabel value(s): 'L 256' (grade code), 'Luperox 256' (trade name), 'Lupersol 256' (trade name), 'Perhexa 250' (trade name), 'Trigonox 141' (trade name), 'USP 245' (grade code) |
| 351,318 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/98f20340-8f86-… | associations resolved on the elementary layer |
| 390,743 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O6"]… | typed the way the ontology types it |
| 398,497 | 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/20260821T1302361922970000/10578 | prefLabel | ef:agent/bootstrap_labels | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v0 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v1 |
| ef:activity/change/20260821T1302361922970000/10579 | name | ef:agent/bootstrap_labels | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v1 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v2 |
| ef:activity/change/20260821T1302361922970000/10580 | synonyms | ef:agent/bootstrap_labels | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v2 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v3 |
| ef:activity/change/20260821T1302361922970000/140634 | context | ef:agent/default_context_mapping | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v3 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v4 |
| ef:activity/change/20260821T1302361922970000/140635 | context_iri | ef:agent/default_context_mapping | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v4 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v5 |
| ef:activity/change/20260821T1302361922970000/216848 | unit_iri | ef:agent/unit_normalization | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v5 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v6 |
| ef:activity/change/20260821T1302361922970000/223568 | prefLabel | ef:agent/normalize_name_case | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v6 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v7 |
| ef:activity/change/20260821T1302361922970000/237254 | properties | ef:agent/enrich_references | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v7 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v8 |
| ef:activity/change/20260821T1302361922970000/237255 | skos_definition | ef:agent/enrich_references | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v8 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v9 |
| ef:activity/change/20260821T1302361922970000/237256 | references | ef:agent/enrich_references | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v9 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v10 |
| ef:activity/change/20260821T1302361922970000/251206 | properties | ef:agent/rdkit_pre_consensus | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v10 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v11 |
| ef:activity/change/20260821T1302361922970000/260042 | altLabel | ef:agent/consensus_match | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v11 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v12 |
| ef:activity/change/20260821T1302361922970000/260043 | cas_match_labels | ef:agent/consensus_match | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v12 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v13 |
| ef:activity/change/20260821T1302361922970000/276391 | properties | ef:agent/opsin_iupac | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v13 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v14 |
| ef:activity/change/20260821T1302361922970000/282991 | properties | ef:agent/rdkit_post_consensus | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v14 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v15 |
| ef:activity/change/20260821T1302361922970000/289458 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v15 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v16 |
| ef:activity/change/20260821T1302361922970000/351318 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v16 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v17 |
| ef:activity/change/20260821T1302361922970000/390743 | properties | ef:agent/normalise_property_values | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v17 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v18 |
| ef:activity/change/20260821T1302361922970000/398497 | types | ef:agent/link_flows_to_their_substance | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v18 | ef:flow/98f20340-8f86-4308-b054-a7a9a325ca6b/v19 |