2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]
Everything that changed this flow. Back to the flow
8175f52b-916f-4003-9391-4cbfd78e2171
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 3 catalogue altLabel value(s): 'HWG 18565' (grade code), 'LK 48952' (grade code), 'NSC 65881' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'126-58-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac3758087d88be47: {'126-58-9': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-58-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[31352, 18471777]; selected_pubchem_cids=[31352]; 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 |
|---|---|---|---|---|---|
| 784 | bootstrap_labels | prefLabel | — | [{"@value":"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 785 | bootstrap_labels | name | 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol] | — | Purged legacy name field to enforce prefLabel usage |
| 786 | bootstrap_labels | synonyms | ["organic","2,2,2'",",2'","-tetrakis(hydroxymethyl)-3,3'","-oxydipropan-1-ol","d-pe300","dipentaerythritol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 126,722 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 126,723 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 213,602 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,928 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,929 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,930 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J103.299B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['126-58-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[31352, 18471777]; selected_pubchem_cids=[31352]; 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 |
| 248,533 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | rdkit_pre_consensus from 'C(C(CO)(CO)COCC(CO)(CO)CO)O'; added: molecular_mass, monoisotopic_mass |
| 259,491 | consensus_match | altLabel | [] | [{"@value":"1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-","@language":"en","source":{"prov:wasGenera… | group_key=2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=126-58-9; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-, 2,2,2′,2′-Tetrakis(hydroxymethyl)-3,3′-oxydipropan-1-ol, 2,2,6,6-Tetrakis(hydroxymethyl)-4-oxaheptane-1,7-diol, 2,2′-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol), 2,2′-[Oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol], 2-[[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol, Bis(pentaerythritol), Charflam 300DP, Charmor DP 15, Charmor DP 40, D 806414, DPER AR, DPER-HY, Di-Penta 93, Di-Pentarit, Di-Pentarit 300, Dipenta 85, Dipenta 90, Dipentaerythritol, Dipentalide, Dipentarit SP, Dipentek, HWG 18565, Holtac D, JLS Dipenta, LK 48952, NSC 65881, Neulizer N, Voxtar D 40; object_uuid=fo-ac3758087d88be47 |
| 259,492 | consensus_match | cas_match_labels | — | {"126-58-9":"exactMatch"} | group_key=2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'126-58-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac3758087d88be47: {'126-58-9': 'exactMatch'} |
| 273,673 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]' |
| 280,040 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | rdkit_post_consensus from 'OCC(CO)(CO)COCC(CO)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,429 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-","@language":"en","source":{"prov:wasGenera… | [{"@value":"1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-","@language":"en","source":{"prov:wasGenera… | Removed 3 catalogue altLabel value(s): 'HWG 18565' (grade code), 'LK 48952' (grade code), 'NSC 65881' (registry code) |
| 344,383 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8175f52b-916f-… | associations resolved on the elementary layer |
| 387,951 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O7"]… | typed the way the ontology types it |
| 394,500 | 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/20260820T0738569779880000/784 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v0 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v1 |
| ef:activity/change/20260820T0738569779880000/785 | name | ef:agent/bootstrap_labels | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v1 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v2 |
| ef:activity/change/20260820T0738569779880000/786 | synonyms | ef:agent/bootstrap_labels | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v2 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v3 |
| ef:activity/change/20260820T0738569779880000/126722 | context | ef:agent/default_context_mapping | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v3 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v4 |
| ef:activity/change/20260820T0738569779880000/126723 | context_iri | ef:agent/default_context_mapping | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v4 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v5 |
| ef:activity/change/20260820T0738569779880000/213602 | unit_iri | ef:agent/unit_normalization | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v5 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v6 |
| ef:activity/change/20260820T0738569779880000/227928 | properties | ef:agent/enrich_references | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v6 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v7 |
| ef:activity/change/20260820T0738569779880000/227929 | skos_definition | ef:agent/enrich_references | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v7 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v8 |
| ef:activity/change/20260820T0738569779880000/227930 | references | ef:agent/enrich_references | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v8 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v9 |
| ef:activity/change/20260820T0738569779880000/248533 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v9 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v10 |
| ef:activity/change/20260820T0738569779880000/259491 | altLabel | ef:agent/consensus_match | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v10 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v11 |
| ef:activity/change/20260820T0738569779880000/259492 | cas_match_labels | ef:agent/consensus_match | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v11 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v12 |
| ef:activity/change/20260820T0738569779880000/273673 | properties | ef:agent/opsin_iupac | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v12 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v13 |
| ef:activity/change/20260820T0738569779880000/280040 | properties | ef:agent/rdkit_post_consensus | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v13 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v14 |
| ef:activity/change/20260820T0738569779880000/287429 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v14 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v15 |
| ef:activity/change/20260820T0738569779880000/344383 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v15 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v16 |
| ef:activity/change/20260820T0738569779880000/387951 | properties | ef:agent/normalise_property_values | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v16 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v17 |
| ef:activity/change/20260820T0738569779880000/394500 | types | ef:agent/link_flows_to_their_substance | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v17 | ef:flow/8175f52b-916f-4003-9391-4cbfd78e2171/v18 |