Diisopropyl Sebacate
Everything that changed this flow. Back to the flow
6a6cdfdd-d895-466d-98f7-781c08c69f3a
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 2 catalogue altLabel value(s): 'Eselan 200' (trade name), 'Wickenol 117' (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=diisopropylsebacate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7491-02-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9548086b0f1d4584: {'7491-02-3': '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=['7491-02-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[24096]; selected_pubchem_cids=[24096]; 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 |
|---|---|---|---|---|---|
| 11,536 | bootstrap_labels | prefLabel | — | [{"@value":"diisopropyl sebacate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 11,537 | bootstrap_labels | name | diisopropyl sebacate | — | Purged legacy name field to enforce prefLabel usage |
| 11,538 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 113,138 | 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 |
| 113,139 | 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 |
| 217,164 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,783 | normalize_name_case | prefLabel | [{"@value":"diisopropyl sebacate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Diisopropyl Sebacate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,155 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,156 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,157 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.295A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['7491-02-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[24096]; selected_pubchem_cids=[24096]; 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 |
| 251,468 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | rdkit_pre_consensus from 'CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C'; added: molecular_mass, monoisotopic_mass |
| 266,022 | consensus_match | altLabel | [] | [{"@value":"Decanedioic acid, 1,10-bis(1-methylethyl) ester","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=diisopropylsebacate||dimension=Environmental > media=Air > strata=Unknown; cas=7491-02-3; added Common Chemistry CAS names as altLabel: Decanedioic acid, 1,10-bis(1-methylethyl) ester, Decanedioic acid, bis(1-methylethyl) ester, Dermol DIPS, Di-iso-propyl decanedioate, Dub Dis, Eselan 200, FineNeo IPSE, IPSE, Schercemol DIS, Sebacic acid, diisopropyl ester, Wickenol 117; object_uuid=fo-9548086b0f1d4584 |
| 266,023 | consensus_match | cas_match_labels | — | {"7491-02-3":"exactMatch"} | group_key=diisopropylsebacate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7491-02-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9548086b0f1d4584: {'7491-02-3': 'exactMatch'} |
| 276,648 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisopropyl Sebacate' |
| 283,275 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | rdkit_post_consensus from 'CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,636 | strip_catalogue_altlabels | altLabel | [{"@value":"Decanedioic acid, 1,10-bis(1-methylethyl) ester","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | [{"@value":"Decanedioic acid, 1,10-bis(1-methylethyl) ester","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Removed 2 catalogue altLabel value(s): 'Eselan 200' (trade name), 'Wickenol 117' (trade name) |
| 337,568 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6a6cdfdd-d895-… | associations resolved on the elementary layer |
| 391,004 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | typed the way the ontology types it |
| 398,865 | 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/20260822T0600486828500000/11536 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v0 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v1 |
| ef:activity/change/20260822T0600486828500000/11537 | name | ef:agent/bootstrap_labels | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v1 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v2 |
| ef:activity/change/20260822T0600486828500000/11538 | synonyms | ef:agent/bootstrap_labels | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v2 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v3 |
| ef:activity/change/20260822T0600486828500000/113138 | context | ef:agent/default_context_mapping | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v3 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v4 |
| ef:activity/change/20260822T0600486828500000/113139 | context_iri | ef:agent/default_context_mapping | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v4 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v5 |
| ef:activity/change/20260822T0600486828500000/217164 | unit_iri | ef:agent/unit_normalization | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v5 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v6 |
| ef:activity/change/20260822T0600486828500000/223783 | prefLabel | ef:agent/normalize_name_case | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v6 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v7 |
| ef:activity/change/20260822T0600486828500000/238155 | properties | ef:agent/enrich_references | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v7 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v8 |
| ef:activity/change/20260822T0600486828500000/238156 | skos_definition | ef:agent/enrich_references | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v8 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v9 |
| ef:activity/change/20260822T0600486828500000/238157 | references | ef:agent/enrich_references | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v9 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v10 |
| ef:activity/change/20260822T0600486828500000/251468 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v10 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v11 |
| ef:activity/change/20260822T0600486828500000/266022 | altLabel | ef:agent/consensus_match | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v11 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v12 |
| ef:activity/change/20260822T0600486828500000/266023 | cas_match_labels | ef:agent/consensus_match | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v12 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v13 |
| ef:activity/change/20260822T0600486828500000/276648 | properties | ef:agent/opsin_iupac | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v13 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v14 |
| ef:activity/change/20260822T0600486828500000/283275 | properties | ef:agent/rdkit_post_consensus | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v14 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v15 |
| ef:activity/change/20260822T0600486828500000/289636 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v15 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v16 |
| ef:activity/change/20260822T0600486828500000/337568 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v16 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v17 |
| ef:activity/change/20260822T0600486828500000/391004 | properties | ef:agent/normalise_property_values | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v17 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v18 |
| ef:activity/change/20260822T0600486828500000/398865 | types | ef:agent/link_flows_to_their_substance | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v18 | ef:flow/6a6cdfdd-d895-466d-98f7-781c08c69f3a/v19 |