Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid
Everything that changed this flow. Back to the flow
6969a6a6-389f-48d2-abdc-d80f1093624f
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 4 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'DB 32' (grade code), 'DB 32 (ester)' (grade code), 'Hatcol 2906' (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=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'1330-86-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dece7aed9e3bee7f: {'1330-86-5': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1330-86-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[61022, 66932, 73986, 19696790, 156614033]; selected_pubchem_cids=[61022, 19696790, 156614033]; 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 |
|---|---|---|---|---|---|
| 5,235 | bootstrap_labels | prefLabel | — | [{"@value":"di-ester reaction products of linear and branched octyl alcohol with hexanedioic acid","@language":"en","so… | Bootstrapped prefLabel from legacy name field |
| 5,236 | bootstrap_labels | name | di-ester reaction products of linear and branched octyl alcohol with hexanedioic acid | — | Purged legacy name field to enforce prefLabel usage |
| 5,237 | bootstrap_labels | synonyms | ["organic","diisooctyladipate","hatcol2906"] | [] | Removed legacy synonyms field in favor of structured labels |
| 112,606 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 112,607 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,088 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,301 | normalize_name_case | prefLabel | [{"@value":"di-ester reaction products of linear and branched octyl alcohol with hexanedioic acid","@language":"en","so… | [{"@value":"Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid","@language":"en","so… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,214 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 232,215 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,216 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J193.573I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1330-86-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[61022, 66932, 73986, 19696790, 156614033]; selected_pubchem_cids=[61022, 19696790, 156614033]; 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 |
| 249,762 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | rdkit_pre_consensus from 'C.C.CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC'; added: molecular_mass, monoisotopic_mass |
| 265,625 | consensus_match | altLabel | [] | [{"@value":"Adipic acid, diisooctyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=1330-86-5; added Common Chemistry CAS names as altLabel: Adipic acid, diisooctyl ester, Adipol 10A, DB 32, DB 32 (ester), DIOA, Diisooctyl adipate, Hatcol 2906, Hexanedioic acid, 1,6-diisooctyl ester, Hexanedioic acid, diisooctyl ester, Isooctyl alcohol, adipate (2:1); object_uuid=fo-dece7aed9e3bee7f |
| 265,626 | consensus_match | cas_match_labels | — | {"1330-86-5":"exactMatch"} | group_key=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'1330-86-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dece7aed9e3bee7f: {'1330-86-5': 'exactMatch'} |
| 274,901 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Adipic acid, diisooctyl ester' |
| 281,377 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | rdkit_post_consensus from 'CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C'; added: inchi2d_key_string, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, molecular_formula |
| 286,827 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40O4-2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| 288,328 | strip_catalogue_altlabels | altLabel | [{"@value":"Adipic acid, diisooctyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"Adipic acid, diisooctyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Removed 3 catalogue altLabel value(s): 'DB 32' (grade code), 'DB 32 (ester)' (grade code), 'Hatcol 2906' (trade name) |
| 337,302 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6969a6a6-389f-… | associations resolved on the elementary layer |
| 396,258 | 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/20260822T0600486828500000/5235 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v0 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v1 |
| ef:activity/change/20260822T0600486828500000/5236 | name | ef:agent/bootstrap_labels | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v1 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v2 |
| ef:activity/change/20260822T0600486828500000/5237 | synonyms | ef:agent/bootstrap_labels | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v2 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v3 |
| ef:activity/change/20260822T0600486828500000/112606 | context | ef:agent/default_context_mapping | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v3 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v4 |
| ef:activity/change/20260822T0600486828500000/112607 | context_iri | ef:agent/default_context_mapping | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v4 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v5 |
| ef:activity/change/20260822T0600486828500000/215088 | unit_iri | ef:agent/unit_normalization | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v5 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v6 |
| ef:activity/change/20260822T0600486828500000/222301 | prefLabel | ef:agent/normalize_name_case | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v6 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v7 |
| ef:activity/change/20260822T0600486828500000/232214 | properties | ef:agent/enrich_references | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v7 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v8 |
| ef:activity/change/20260822T0600486828500000/232215 | skos_definition | ef:agent/enrich_references | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v8 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v9 |
| ef:activity/change/20260822T0600486828500000/232216 | references | ef:agent/enrich_references | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v9 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v10 |
| ef:activity/change/20260822T0600486828500000/249762 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v10 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v11 |
| ef:activity/change/20260822T0600486828500000/265625 | altLabel | ef:agent/consensus_match | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v11 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v12 |
| ef:activity/change/20260822T0600486828500000/265626 | cas_match_labels | ef:agent/consensus_match | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v12 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v13 |
| ef:activity/change/20260822T0600486828500000/274901 | properties | ef:agent/opsin_iupac | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v13 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v14 |
| ef:activity/change/20260822T0600486828500000/281377 | properties | ef:agent/rdkit_post_consensus | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v14 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v15 |
| ef:activity/change/20260822T0600486828500000/286827 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v15 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v16 |
| ef:activity/change/20260822T0600486828500000/288328 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v16 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v17 |
| ef:activity/change/20260822T0600486828500000/337302 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v17 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v18 |
| ef:activity/change/20260822T0600486828500000/396258 | types | ef:agent/link_flows_to_their_substance | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v18 | ef:flow/6969a6a6-389f-48d2-abdc-d80f1093624f/v19 |