2,2,2-trifluoroethanol
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a77c-0050c2490048
By field
12 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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 451' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,2,2-trifluoroethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-89-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-56959ed55b55e382: {'75-89-8': '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=['75-89-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_42330']; candidate_pubchem_cids=[6409, 243029]; selected_pubchem_cids=[6409]; 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 |
| 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 |
|---|---|---|---|---|---|
| 25,438 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,2-trifluoroethanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 25,439 | bootstrap_labels | name | 2,2,2-trifluoroethanol | — | Purged legacy name field to enforce prefLabel usage |
| 207,000 | 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) |
| 207,001 | 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) |
| 221,001 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 248,208 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 248,209 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 248,210 | enrich_references | references | [] | [{"@id":"beilstein:1733203","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['75-89-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_42330']; candidate_pubchem_cids=[6409, 243029]; selected_pubchem_cids=[6409]; 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 |
| 254,358 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | rdkit_pre_consensus from 'C(C(F)(F)F)O'; added: monoisotopic_mass |
| 257,384 | chebi_altlabels | altLabel | [] | [{"@value":"2,2,2-trifluoroethyl alcohol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,527 | consensus_match | altLabel | [{"@value":"2,2,2-trifluoroethyl alcohol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"2,2,2-trifluoroethyl alcohol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=2,2,2-trifluoroethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=75-89-8; added Common Chemistry CAS names as altLabel: 2,2,2-Trifluoroethan-1-ol, Ethanol, 2,2,2-trifluoro-, MeSH ID: D014270, NSC 451, β,β,β-Trifluoroethyl alcohol; object_uuid=fo-56959ed55b55e382 |
| 259,528 | consensus_match | cas_match_labels | — | {"75-89-8":"exactMatch"} | group_key=2,2,2-trifluoroethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-89-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-56959ed55b55e382: {'75-89-8': 'exactMatch'} |
| 279,713 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2,2-trifluoroethanol' |
| 286,607 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | rdkit_post_consensus from 'OCC(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,828 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2,2-trifluoroethyl alcohol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"2,2,2-trifluoroethyl alcohol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 451' (registry code) |
| 384,528 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 394,117 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3F3O"],… | typed the way the ontology types it |
| 403,628 | 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/20260821T0609040591070000/25438 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/25439 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/207000 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/207001 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/221001 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/248208 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/248209 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/248210 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/254358 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/257384 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/259527 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/259528 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/279713 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/286607 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/291828 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/384528 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/394117 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/403628 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a77c-0050c2490048/v18 |