Diisononyl Adipate
Everything that changed this flow. Back to the flow
c93382cd-864d-4ec6-9be2-fc00fc086893
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 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'W 242' (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=diisononyladipate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'33703-08-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1fe291d838d83082: {'33703-08-1': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['33703-08-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[6427097, 176514739]; selected_pubchem_cids=[6427097, 176514739]; 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 |
|---|---|---|---|---|---|
| 18,978 | bootstrap_labels | prefLabel | — | [{"@value":"diisononyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 18,979 | bootstrap_labels | name | diisononyl adipate | — | Purged legacy name field to enforce prefLabel usage |
| 18,980 | bootstrap_labels | synonyms | ["organic","diisononyladipate","adipicacid,diisononylester(8ci)","dina","hexanedioicacid,diisononylester(9ci)","isonony… | [] | Removed legacy synonyms field in favor of structured labels |
| 168,964 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 168,965 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 219,529 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,412 | normalize_name_case | prefLabel | [{"@value":"diisononyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Diisononyl Adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,858 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 244,859 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,860 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.715.738D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['33703-08-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[6427097, 176514739]; selected_pubchem_cids=[6427097, 176514739]; 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 |
| 253,410 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | rdkit_pre_consensus from 'CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 265,998 | consensus_match | altLabel | [] | [{"@value":"Adipic acid, diisononyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=diisononyladipate||dimension=Environmental > media=Water > water_body=Ocean; cas=33703-08-1; added Common Chemistry CAS names as altLabel: Adipic acid, diisononyl ester, DINA, Glissofluid A 13, Hexanedioic acid, 1,6-diisononyl ester, Hexanedioic acid, diisononyl ester, Isononyl alcohol, adipate (2:1), Jayflex DINA, Jayflex DINA 2, Monocizer W 242, Plasomoll DNA, Plastomoll DNA, Polycizer W 242, Sansocizer DINA, W 242; object_uuid=fo-1fe291d838d83082 |
| 265,999 | consensus_match | cas_match_labels | — | {"33703-08-1":"exactMatch"} | group_key=diisononyladipate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'33703-08-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1fe291d838d83082: {'33703-08-1': 'exactMatch'} |
| 278,622 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisononyl Adipate' |
| 285,399 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | rdkit_post_consensus from 'CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,142 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H46O4"]… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,070 | strip_catalogue_altlabels | altLabel | [{"@value":"Adipic acid, diisononyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"Adipic acid, diisononyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Removed 1 catalogue altLabel value(s): 'W 242' (grade code) |
| 365,508 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c93382cd-864d-… | associations resolved on the elementary layer |
| 401,727 | 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/20260822T0600486828500000/18978 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v0 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v1 |
| ef:activity/change/20260822T0600486828500000/18979 | name | ef:agent/bootstrap_labels | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v1 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v2 |
| ef:activity/change/20260822T0600486828500000/18980 | synonyms | ef:agent/bootstrap_labels | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v2 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v3 |
| ef:activity/change/20260822T0600486828500000/168964 | context | ef:agent/default_context_mapping | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v3 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v4 |
| ef:activity/change/20260822T0600486828500000/168965 | context_iri | ef:agent/default_context_mapping | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v4 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v5 |
| ef:activity/change/20260822T0600486828500000/219529 | unit_iri | ef:agent/unit_normalization | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v5 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v6 |
| ef:activity/change/20260822T0600486828500000/225412 | prefLabel | ef:agent/normalize_name_case | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v6 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v7 |
| ef:activity/change/20260822T0600486828500000/244858 | properties | ef:agent/enrich_references | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v7 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v8 |
| ef:activity/change/20260822T0600486828500000/244859 | skos_definition | ef:agent/enrich_references | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v8 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v9 |
| ef:activity/change/20260822T0600486828500000/244860 | references | ef:agent/enrich_references | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v9 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v10 |
| ef:activity/change/20260822T0600486828500000/253410 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v10 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v11 |
| ef:activity/change/20260822T0600486828500000/265998 | altLabel | ef:agent/consensus_match | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v11 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v12 |
| ef:activity/change/20260822T0600486828500000/265999 | cas_match_labels | ef:agent/consensus_match | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v12 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v13 |
| ef:activity/change/20260822T0600486828500000/278622 | properties | ef:agent/opsin_iupac | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v13 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v14 |
| ef:activity/change/20260822T0600486828500000/285399 | properties | ef:agent/rdkit_post_consensus | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v14 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v15 |
| ef:activity/change/20260822T0600486828500000/287142 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v15 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v16 |
| ef:activity/change/20260822T0600486828500000/291070 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v16 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v17 |
| ef:activity/change/20260822T0600486828500000/365508 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v17 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v18 |
| ef:activity/change/20260822T0600486828500000/401727 | types | ef:agent/link_flows_to_their_substance | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v18 | ef:flow/c93382cd-864d-4ec6-9be2-fc00fc086893/v19 |