Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And 1,1,3,3-tetramethylbutyl Hydroperoxide
Everything that changed this flow. Back to the flow
21982dba-1b99-4c83-a0c7-52f9ee444a7a
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Luperox 810' (trade name), 'Trigonox 151' (trade name), 'Trigonox 423' (trade name) |
| 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=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)and1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'51240-95-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a80d3eed8017b809: {'51240-95-0': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['51240-95-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[6452377, 57350359, 73557412, 87225207]; selected_pubchem_cids=[6452377, 73557412]; 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 |
|---|---|---|---|---|---|
| 18,379 | bootstrap_labels | prefLabel | — | [{"@value":"reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and 1,1,3,3-t… | Bootstrapped prefLabel from legacy name field |
| 18,380 | bootstrap_labels | name | reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and 1,1,3,3-tetramethylbu… | — | Purged legacy name field to enforce prefLabel usage |
| 18,381 | bootstrap_labels | synonyms | ["organic","1,1,3,3-tetramethylbutylperoxyneodecanoate","trigonox423"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,092 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 59,093 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,347 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,283 | normalize_name_case | prefLabel | [{"@value":"reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and 1,1,3,3-t… | [{"@value":"Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And 1,1,3,3-t… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,362 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 244,363 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,364 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.871","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['51240-95-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[6452377, 57350359, 73557412, 87225207]; selected_pubchem_cids=[6452377, 73557412]; 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 |
| 253,269 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | rdkit_pre_consensus from 'CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,415 | consensus_match | altLabel | [] | [{"@value":"1,1,3,3-Tetramethylbutyl perneodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)and1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; cas=51240-95-0; added Common Chemistry CAS names as altLabel: 1,1,3,3-Tetramethylbutyl perneodecanoate, 1,1,3,3-Tetramethylbutyl peroxyneodecanoate, 2,4,4-Trimethylpentyl-2-peroxy neodecanoate, <em>tert</em>-Octyl peroxyneodecanoate, Luperox 810, Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester, Perocta ND, Trigonox 151, Trigonox 151C70, Trigonox 151W50, Trigonox 423, Trigonox 423C70; object_uuid=fo-a80d3eed8017b809 |
| 271,416 | consensus_match | cas_match_labels | — | {"51240-95-0":"exactMatch"} | group_key=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)and1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'51240-95-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a80d3eed8017b809: {'51240-95-0': 'exactMatch'} |
| 278,479 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,3,3-Tetramethylbutyl peroxyneodecanoate' |
| 285,243 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)OOC(C)(C)CC(C)(C)C'; added: inchi2d_key_string, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, molecular_formula |
| 287,124 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 290,954 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,3,3-Tetramethylbutyl perneodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1,1,3,3-Tetramethylbutyl perneodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 3 catalogue altLabel value(s): 'Luperox 810' (trade name), 'Trigonox 151' (trade name), 'Trigonox 423' (trade name) |
| 310,568 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21982dba-1b99-… | associations resolved on the elementary layer |
| 401,505 | 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/20260821T1554374006150000/18379 | prefLabel | ef:agent/bootstrap_labels | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v0 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v1 |
| ef:activity/change/20260821T1554374006150000/18380 | name | ef:agent/bootstrap_labels | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v1 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v2 |
| ef:activity/change/20260821T1554374006150000/18381 | synonyms | ef:agent/bootstrap_labels | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v2 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v3 |
| ef:activity/change/20260821T1554374006150000/59092 | context | ef:agent/default_context_mapping | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v3 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v4 |
| ef:activity/change/20260821T1554374006150000/59093 | context_iri | ef:agent/default_context_mapping | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v4 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v5 |
| ef:activity/change/20260821T1554374006150000/219347 | unit_iri | ef:agent/unit_normalization | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v5 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v6 |
| ef:activity/change/20260821T1554374006150000/225283 | prefLabel | ef:agent/normalize_name_case | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v6 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v7 |
| ef:activity/change/20260821T1554374006150000/244362 | properties | ef:agent/enrich_references | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v7 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v8 |
| ef:activity/change/20260821T1554374006150000/244363 | skos_definition | ef:agent/enrich_references | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v8 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v9 |
| ef:activity/change/20260821T1554374006150000/244364 | references | ef:agent/enrich_references | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v9 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v10 |
| ef:activity/change/20260821T1554374006150000/253269 | properties | ef:agent/rdkit_pre_consensus | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v10 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v11 |
| ef:activity/change/20260821T1554374006150000/271415 | altLabel | ef:agent/consensus_match | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v11 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v12 |
| ef:activity/change/20260821T1554374006150000/271416 | cas_match_labels | ef:agent/consensus_match | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v12 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v13 |
| ef:activity/change/20260821T1554374006150000/278479 | properties | ef:agent/opsin_iupac | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v13 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v14 |
| ef:activity/change/20260821T1554374006150000/285243 | properties | ef:agent/rdkit_post_consensus | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v14 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v15 |
| ef:activity/change/20260821T1554374006150000/287124 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v15 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v16 |
| ef:activity/change/20260821T1554374006150000/290954 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v16 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v17 |
| ef:activity/change/20260821T1554374006150000/310568 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v17 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v18 |
| ef:activity/change/20260821T1554374006150000/401505 | types | ef:agent/link_flows_to_their_substance | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v18 | ef:flow/21982dba-1b99-4c83-a0c7-52f9ee444a7a/v19 |