2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate
Everything that changed this flow. Back to the flow
abfaa6f1-250f-4381-bc62-c0e38a95a944
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=93803-89-5; added Common Chemistry CAS names as altLabel: Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester, Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester, Pelemol P 49, Pentaerythritol tetraisonanoate, Pentaerythrityl tetraisononanoate; object_uuid=fo-79233ed2c2846455 |
| cas_match_labels | 1 | consensus_match | group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93803-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-79233ed2c2846455: {'93803-89-5': '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 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=['93803-89-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[17907846]; selected_pubchem_cids=[17907846]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,021 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 11,022 | bootstrap_labels | name | 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate | — | Purged legacy name field to enforce prefLabel usage |
| 11,023 | bootstrap_labels | synonyms | ["organic","2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 152,102 | 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 |
| 152,103 | 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 |
| 216,994 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,666 | normalize_name_case | prefLabel | [{"@value":"2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate","@language":"en","source":{"prov:wasGen… | [{"@value":"2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,671 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,672 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,673 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.089.379","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['93803-89-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[17907846]; selected_pubchem_cids=[17907846]; 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 |
| 251,329 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | rdkit_pre_consensus from 'CC(C)CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 259,614 | consensus_match | altLabel | [] | [{"@value":"Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester","@language":"en","sourc… | group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=93803-89-5; added Common Chemistry CAS names as altLabel: Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester, Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester, Pelemol P 49, Pentaerythritol tetraisonanoate, Pentaerythrityl tetraisononanoate; object_uuid=fo-79233ed2c2846455 |
| 259,615 | consensus_match | cas_match_labels | — | {"93803-89-5":"exactMatch"} | group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93803-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-79233ed2c2846455: {'93803-89-5': 'exactMatch'} |
| 276,509 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate' |
| 283,118 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | rdkit_post_consensus from 'CC(C)CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 357,067 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/abfaa6f1-250f-… | associations resolved on the elementary layer |
| 390,860 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C41H76O8"]… | typed the way the ontology types it |
| 398,654 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T0609040591070000/11021 | prefLabel | ef:agent/bootstrap_labels | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v0 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v1 |
| ef:activity/change/20260821T0609040591070000/11022 | name | ef:agent/bootstrap_labels | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v1 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v2 |
| ef:activity/change/20260821T0609040591070000/11023 | synonyms | ef:agent/bootstrap_labels | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v2 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v3 |
| ef:activity/change/20260821T0609040591070000/152102 | context | ef:agent/default_context_mapping | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v3 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v4 |
| ef:activity/change/20260821T0609040591070000/152103 | context_iri | ef:agent/default_context_mapping | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v4 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v5 |
| ef:activity/change/20260821T0609040591070000/216994 | unit_iri | ef:agent/unit_normalization | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v5 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v6 |
| ef:activity/change/20260821T0609040591070000/223666 | prefLabel | ef:agent/normalize_name_case | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v6 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v7 |
| ef:activity/change/20260821T0609040591070000/237671 | properties | ef:agent/enrich_references | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v7 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v8 |
| ef:activity/change/20260821T0609040591070000/237672 | skos_definition | ef:agent/enrich_references | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v8 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v9 |
| ef:activity/change/20260821T0609040591070000/237673 | references | ef:agent/enrich_references | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v9 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v10 |
| ef:activity/change/20260821T0609040591070000/251329 | properties | ef:agent/rdkit_pre_consensus | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v10 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v11 |
| ef:activity/change/20260821T0609040591070000/259614 | altLabel | ef:agent/consensus_match | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v11 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v12 |
| ef:activity/change/20260821T0609040591070000/259615 | cas_match_labels | ef:agent/consensus_match | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v12 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v13 |
| ef:activity/change/20260821T0609040591070000/276509 | properties | ef:agent/opsin_iupac | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v13 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v14 |
| ef:activity/change/20260821T0609040591070000/283118 | properties | ef:agent/rdkit_post_consensus | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v14 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v15 |
| ef:activity/change/20260821T0609040591070000/357067 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v15 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v16 |
| ef:activity/change/20260821T0609040591070000/390860 | properties | ef:agent/normalise_property_values | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v16 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v17 |
| ef:activity/change/20260821T0609040591070000/398654 | types | ef:agent/link_flows_to_their_substance | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v17 | ef:flow/abfaa6f1-250f-4381-bc62-c0e38a95a944/v18 |