Pentaerythritol, Propoxylated
Everything that changed this flow. Back to the flow
f87ac61f-165b-42d5-aec0-f6ec444d7598
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, 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 14 catalogue altLabel value(s): 'EP 400' (grade code), 'Excenol 410E' (trade name), 'HE 400' (grade code), 'PE 450' (grade code), 'PN 400' (grade code), 'PS 4360' (grade code), 'PeP 450' (grade code), 'PeP 550' (grade code), 'PeP 650' (grade code), 'Pluracol 3320' (trade name), 'Polyol 4360' (trade name), 'S 4010' (grade code), 'TD 4914' (grade code), 'TEP 3033' (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=pentaerythritol,propoxylated||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'9051-49-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-da9f822cac579c07: {'9051-49-4': '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 agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['9051-49-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[165767, 165768, 16212716]; selected_pubchem_cids=[165768, 16212716]; 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 |
|---|---|---|---|---|---|
| 5,561 | bootstrap_labels | prefLabel | — | [{"@value":"pentaerythritol, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 5,562 | bootstrap_labels | name | pentaerythritol, propoxylated | — | Purged legacy name field to enforce prefLabel usage |
| 5,563 | bootstrap_labels | synonyms | ["organic","pentaerythritol,propoxylated","pentaerythritol,propoxylated1-5.5molespropoxylated"] | [] | Removed legacy synonyms field in favor of structured labels |
| 199,051 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 199,052 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,199 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,386 | normalize_name_case | prefLabel | [{"@value":"pentaerythritol, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Pentaerythritol, Propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,532 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 232,533 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,534 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.038.427C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['9051-49-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[165767, 165768, 16212716]; selected_pubchem_cids=[165768, 16212716]; 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 |
| 249,861 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | rdkit_pre_consensus from 'C(CO)COCC(COCCCO)(COCCCO)COCCCO'; added: molecular_mass, monoisotopic_mass |
| 270,442 | consensus_match | altLabel | [] | [{"@value":"Actcol PE 450","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | group_key=pentaerythritol,propoxylated||dimension=Environmental > media=Water > water_body=Ocean; cas=9051-49-4; added Common Chemistry CAS names as altLabel: Actcol PE 450, Bypolet 45, EL 410NE, EP 400, Excenol 410E, Excenol 410NE, HE 400, K-Pure 4321, Kukdo PN 400, PE 450, PN 400, PNT-F 40, PS 4360, PeP 450, PeP 550, PeP 650, Pentaerythritol polyoxypropylene ether, Pentaerythritol propoxylate, Pentaerythritol-initiated polypropylene glycol, Pentaerythritol-propylene oxide polymer, Pluracol 3320, Pluracol PeP 450, Pluracol PeP 550, Pluracol PeP 650, Poly[oxy(methyl-1,2-ethanediyl)], α-hydro-ω-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1), Polydo PN 400, Polyol 4360, Polypropylene glycol ether with pentaerythritol, Polypropylene glycol pentaerythritol ether, Polypropylene glycol tetraether with pentaerythritol, Propoxylated pentaerythritol, S 4010, Sannix EP 900, Sannix HD 402, Simulsol PTKP, Simulsol PTZE, TD 4914, TEP 3033, Tetrol; object_uuid=fo-da9f822cac579c07 |
| 270,443 | consensus_match | cas_match_labels | — | {"9051-49-4":"exactMatch"} | group_key=pentaerythritol,propoxylated||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'9051-49-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-da9f822cac579c07: {'9051-49-4': 'exactMatch'} |
| 281,483 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | rdkit_post_consensus from 'C(CO)COCC(COCCCO)(COCCCO)COCCCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,846 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H36O8",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,400 | strip_catalogue_altlabels | altLabel | [{"@value":"Actcol PE 450","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | [{"@value":"Actcol PE 450","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | Removed 14 catalogue altLabel value(s): 'EP 400' (grade code), 'Excenol 410E' (trade name), 'HE 400' (grade code), 'PE 450' (grade code), 'PN 400' (grade code), 'PS 4360' (grade code), 'PeP 450' (grade code), 'PeP 550' (grade code), 'PeP 650' (grade code), 'Pluracol 3320' (trade name), 'Polyol 4360' (trade name), 'S 4010' (grade code), 'TD 4914' (grade code), 'TEP 3033' (grade code) |
| 380,589 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f87ac61f-165b-… | associations resolved on the elementary layer |
| 396,416 | 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/20260920T1042228874600000/5561 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v0 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v1 |
| ef:activity/change/20260920T1042228874600000/5562 | name | ef:agent/bootstrap_labels | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v1 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v2 |
| ef:activity/change/20260920T1042228874600000/5563 | synonyms | ef:agent/bootstrap_labels | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v2 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v3 |
| ef:activity/change/20260920T1042228874600000/199051 | context | ef:agent/default_context_mapping | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v3 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v4 |
| ef:activity/change/20260920T1042228874600000/199052 | context_iri | ef:agent/default_context_mapping | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v4 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v5 |
| ef:activity/change/20260920T1042228874600000/215199 | unit_iri | ef:agent/unit_normalization | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v5 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v6 |
| ef:activity/change/20260920T1042228874600000/222386 | prefLabel | ef:agent/normalize_name_case | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v6 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v7 |
| ef:activity/change/20260920T1042228874600000/232532 | properties | ef:agent/enrich_references | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v7 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v8 |
| ef:activity/change/20260920T1042228874600000/232533 | skos_definition | ef:agent/enrich_references | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v8 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v9 |
| ef:activity/change/20260920T1042228874600000/232534 | references | ef:agent/enrich_references | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v9 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v10 |
| ef:activity/change/20260920T1042228874600000/249861 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v10 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v11 |
| ef:activity/change/20260920T1042228874600000/270442 | altLabel | ef:agent/consensus_match | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v11 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v12 |
| ef:activity/change/20260920T1042228874600000/270443 | cas_match_labels | ef:agent/consensus_match | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v12 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v13 |
| ef:activity/change/20260920T1042228874600000/281483 | properties | ef:agent/rdkit_post_consensus | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v13 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v14 |
| ef:activity/change/20260920T1042228874600000/286846 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v14 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v15 |
| ef:activity/change/20260920T1042228874600000/288400 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v15 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v16 |
| ef:activity/change/20260920T1042228874600000/380589 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v16 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v17 |
| ef:activity/change/20260920T1042228874600000/396416 | types | ef:agent/link_flows_to_their_substance | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v17 | ef:flow/f87ac61f-165b-42d5-aec0-f6ec444d7598/v18 |