3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane
Everything that changed this flow. Back to the flow
fe5207df-01ae-4342-8f1f-11b50eb5d84c
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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): 'HJ 30' (grade code), 'Trigonox 131' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'70833-40-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-65c2f72ea3fef8c1: {'70833-40-8': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['70833-40-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[116706, 286025, 21900398]; selected_pubchem_cids=[116706]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,980 | bootstrap_labels | prefLabel | — | [{"@value":"3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane","@language":"en","source":{"prov:wasGeneratedB… | Bootstrapped prefLabel from legacy name field |
| 12,981 | bootstrap_labels | name | 3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane | — | Purged legacy name field to enforce prefLabel usage |
| 12,982 | bootstrap_labels | synonyms | ["organic","o-(2-ethylhexyl)o,o-tert-pentylperoxycarbonate","trigonox131"] | [] | Removed legacy synonyms field in favor of structured labels |
| 212,334 | 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 |
| 212,335 | 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 |
| 217,631 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,495 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,496 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,497 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J288.638C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['70833-40-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[116706, 286025, 21900398]; selected_pubchem_cids=[116706]; 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 |
| 251,857 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)OOC(C)(C)CC'; added: molecular_mass, monoisotopic_mass |
| 261,856 | consensus_match | altLabel | [] | [{"@value":"<em>O</em>,<em>O</em>-<em>tert</em>-Amyl <em>O</em>-2-ethylhexyl monoperoxycarbonate","@language":"en","sou… | group_key=3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane||dimension=Environmental > media=Water > water_body=Unknown; cas=70833-40-8; added Common Chemistry CAS names as altLabel: <em>O</em>,<em>O</em>-<em>tert</em>-Amyl <em>O</em>-2-ethylhexyl monoperoxycarbonate, <em>Tert</em>-Amyl peroxy 2-ethylhexyl carbonate, <em>tert</em>-Pentylperoxy 2-ethylhexyl monocarbonate, Carbonoperoxoic acid, <em>OO</em>-(1,1-dimethylpropyl) <em>O</em>-(2-ethylhexyl) ester, Esperox C 59, HJ 30, Luperox MC, Luperox TAEC, Lupersol TAEC, Trigonox 131; object_uuid=fo-65c2f72ea3fef8c1 |
| 261,857 | consensus_match | cas_match_labels | — | {"70833-40-8":"exactMatch"} | group_key=3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'70833-40-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-65c2f72ea3fef8c1: {'70833-40-8': 'exactMatch'} |
| 283,704 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)OOC(C)(C)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,921 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>O</em>,<em>O</em>-<em>tert</em>-Amyl <em>O</em>-2-ethylhexyl monoperoxycarbonate","@language":"en","sou… | [{"@value":"O,O-tert-Amyl O-2-ethylhexyl monoperoxycarbonate","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 2 catalogue altLabel value(s): 'HJ 30' (grade code), 'Trigonox 131' (trade name) |
| 387,210 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe5207df-01ae-… | associations resolved on the elementary layer |
| 391,402 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28O4"]… | typed the way the ontology types it |
| 399,418 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/12980 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v0 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v1 |
| ef:activity/change/20260821T1302361922970000/12981 | name | ef:agent/bootstrap_labels | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v1 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v2 |
| ef:activity/change/20260821T1302361922970000/12982 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v2 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v3 |
| ef:activity/change/20260821T1302361922970000/212334 | context | ef:agent/default_context_mapping | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v3 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v4 |
| ef:activity/change/20260821T1302361922970000/212335 | context_iri | ef:agent/default_context_mapping | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v4 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v5 |
| ef:activity/change/20260821T1302361922970000/217631 | unit_iri | ef:agent/unit_normalization | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v5 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v6 |
| ef:activity/change/20260821T1302361922970000/239495 | properties | ef:agent/enrich_references | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v6 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v7 |
| ef:activity/change/20260821T1302361922970000/239496 | skos_definition | ef:agent/enrich_references | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v7 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v8 |
| ef:activity/change/20260821T1302361922970000/239497 | references | ef:agent/enrich_references | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v8 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v9 |
| ef:activity/change/20260821T1302361922970000/251857 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v9 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v10 |
| ef:activity/change/20260821T1302361922970000/261856 | altLabel | ef:agent/consensus_match | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v10 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v11 |
| ef:activity/change/20260821T1302361922970000/261857 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v11 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v12 |
| ef:activity/change/20260821T1302361922970000/283704 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v12 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v13 |
| ef:activity/change/20260821T1302361922970000/289921 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v13 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v14 |
| ef:activity/change/20260821T1302361922970000/387210 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v14 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v15 |
| ef:activity/change/20260821T1302361922970000/391402 | properties | ef:agent/normalise_property_values | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v15 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v16 |
| ef:activity/change/20260821T1302361922970000/399418 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v16 | ef:flow/fe5207df-01ae-4342-8f1f-11b50eb5d84c/v17 |