Phosphonic Acid, Dibutyl Ester
Everything that changed this flow. Back to the flow
d39174f8-e47f-4643-aca3-25f85664d75b
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 3 catalogue altLabel value(s): 'DBP 1' (grade code), 'NSC 2668' (registry code), 'T 304' (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=phosphonicacid,dibutylester||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1809-19-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-be0e4cfac00e3e90: {'1809-19-4': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1809-19-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[15739, 6327349, 23414612]; selected_pubchem_cids=[6327349, 23414612]; 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 |
|---|---|---|---|---|---|
| 9,531 | bootstrap_labels | prefLabel | — | [{"@value":"phosphonic acid, dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 9,532 | bootstrap_labels | name | phosphonic acid, dibutyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 9,533 | bootstrap_labels | synonyms | ["organic","dibutylphosphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 175,096 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 175,097 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 216,508 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,334 | normalize_name_case | prefLabel | [{"@value":"phosphonic acid, dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Phosphonic Acid, Dibutyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,291 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 236,292 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,293 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.781G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1809-19-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[15739, 6327349, 23414612]; selected_pubchem_cids=[6327349, 23414612]; 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 |
| 250,933 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | rdkit_pre_consensus from 'CCCCOP([O-])OCCCC'; added: molecular_mass, monoisotopic_mass |
| 270,683 | consensus_match | altLabel | [] | [{"@value":"Butyl alcohol, hydrogen phosphite","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=phosphonicacid,dibutylester||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1809-19-4; added Common Chemistry CAS names as altLabel: Butyl alcohol, hydrogen phosphite, Butyl phosphite ((C<sub>4</sub>H<sub>9</sub>O)<sub>2</sub>(HO)P), Butyl phosphonate ((BuO)<sub>2</sub>HPO), Butyl phosphonate ((C<sub>4</sub>H<sub>9</sub>O)<sub>2</sub>HPO), DBP 1, Di-<em>n</em>-butyl hydrogen phosphite, Di-<em>n</em>-butyl phosphite, Dibutoxyphosphine oxide, Dibutyl hydrogen phosphite, Dibutyl phosphite, Dibutyl phosphonate, Duraphos DBHP, NSC 2668, Phosphorous acid, dibutyl ester, T 304; object_uuid=fo-be0e4cfac00e3e90 |
| 270,684 | consensus_match | cas_match_labels | — | {"1809-19-4":"exactMatch"} | group_key=phosphonicacid,dibutylester||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1809-19-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-be0e4cfac00e3e90: {'1809-19-4': 'exactMatch'} |
| 282,697 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | rdkit_post_consensus from 'CCCCOP([O-])OCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,914 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3P+"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,249 | strip_catalogue_altlabels | altLabel | [{"@value":"Butyl alcohol, hydrogen phosphite","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"Butyl alcohol, hydrogen phosphite","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Removed 3 catalogue altLabel value(s): 'DBP 1' (grade code), 'NSC 2668' (registry code), 'T 304' (grade code) |
| 368,572 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d39174f8-e47f-… | associations resolved on the elementary layer |
| 398,087 | 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/20260821T1554374006150000/9531 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v0 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v1 |
| ef:activity/change/20260821T1554374006150000/9532 | name | ef:agent/bootstrap_labels | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v1 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v2 |
| ef:activity/change/20260821T1554374006150000/9533 | synonyms | ef:agent/bootstrap_labels | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v2 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v3 |
| ef:activity/change/20260821T1554374006150000/175096 | context | ef:agent/default_context_mapping | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v3 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v4 |
| ef:activity/change/20260821T1554374006150000/175097 | context_iri | ef:agent/default_context_mapping | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v4 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v5 |
| ef:activity/change/20260821T1554374006150000/216508 | unit_iri | ef:agent/unit_normalization | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v5 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v6 |
| ef:activity/change/20260821T1554374006150000/223334 | prefLabel | ef:agent/normalize_name_case | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v6 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v7 |
| ef:activity/change/20260821T1554374006150000/236291 | properties | ef:agent/enrich_references | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v7 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v8 |
| ef:activity/change/20260821T1554374006150000/236292 | skos_definition | ef:agent/enrich_references | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v8 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v9 |
| ef:activity/change/20260821T1554374006150000/236293 | references | ef:agent/enrich_references | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v9 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v10 |
| ef:activity/change/20260821T1554374006150000/250933 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v10 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v11 |
| ef:activity/change/20260821T1554374006150000/270683 | altLabel | ef:agent/consensus_match | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v11 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v12 |
| ef:activity/change/20260821T1554374006150000/270684 | cas_match_labels | ef:agent/consensus_match | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v12 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v13 |
| ef:activity/change/20260821T1554374006150000/282697 | properties | ef:agent/rdkit_post_consensus | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v13 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v14 |
| ef:activity/change/20260821T1554374006150000/286914 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v14 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v15 |
| ef:activity/change/20260821T1554374006150000/289249 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v15 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v16 |
| ef:activity/change/20260821T1554374006150000/368572 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v16 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v17 |
| ef:activity/change/20260821T1554374006150000/398087 | types | ef:agent/link_flows_to_their_substance | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v17 | ef:flow/d39174f8-e47f-4643-aca3-25f85664d75b/v18 |