1,1,1,3,3,3-hexafluoro-2-propanol
Everything that changed this flow. Back to the flow
172b00f6-6556-11dd-ad8b-0800200c9a66
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 96336' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,1,1,3,3,3-hexafluoro-2-propanol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'920-66-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e03ab159320bc1e3: {'920-66-1': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['920-66-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_63104']; candidate_pubchem_cids=[13529, 13350568]; selected_pubchem_cids=[13529]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,838 | bootstrap_labels | prefLabel | — | [{"@value":"1,1,1,3,3,3-hexafluoro-2-propanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 6,839 | bootstrap_labels | name | 1,1,1,3,3,3-hexafluoro-2-propanol | — | Purged legacy name field to enforce prefLabel usage |
| 6,840 | bootstrap_labels | synonyms | ["1 1 1 3 3 3-hexafluoroisopropanol","1,1,1,3,3,3-HEXAFLUORO-ISOPROPANOL","1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL","1,1,1,3,… | [] | Removed legacy synonyms field in favor of structured labels |
| 51,816 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 51,817 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,621 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,740 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,741 | enrich_references | skos_definition | — | [{"@value":"An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,742 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.987F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['920-66-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_63104']; candidate_pubchem_cids=[13529, 13350568]; selected_pubchem_cids=[13529]; 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 |
| 250,207 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | rdkit_pre_consensus from 'C(C(F)(F)F)(C(F)(F)F)O'; added: monoisotopic_mass |
| 255,227 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1,3,3,3-Hexafluoro-2-hydroxypropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,096 | consensus_match | altLabel | [{"@value":"1,1,1,3,3,3-Hexafluoro-2-hydroxypropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"1,1,1,3,3,3-Hexafluoro-2-hydroxypropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | group_key=1,1,1,3,3,3-hexafluoro-2-propanol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=920-66-1; added Common Chemistry CAS names as altLabel: 1,1,1,3,3,3-Hexafluoropropane-2-ol, 1,1,1,3,3,3-Hexafluoropropanol, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, NSC 96336; object_uuid=fo-e03ab159320bc1e3 |
| 258,097 | consensus_match | cas_match_labels | — | {"920-66-1":"exactMatch"} | group_key=1,1,1,3,3,3-hexafluoro-2-propanol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'920-66-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e03ab159320bc1e3: {'920-66-1': 'exactMatch'} |
| 275,346 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,1,3,3,3-hexafluoro-2-propanol' |
| 281,853 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | rdkit_post_consensus from 'OC(C(F)(F)F)C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,647 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1,3,3,3-Hexafluoro-2-hydroxypropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"1,1,1,3,3,3-Hexafluoro-2-hydroxypropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Removed 1 catalogue altLabel value(s): 'NSC 96336' (registry code) |
| 306,928 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172b00f6-6556-… | associations resolved on the elementary layer |
| 389,644 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2F6O"],… | typed the way the ontology types it |
| 396,885 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T1812399309960000/6838 | prefLabel | ef:agent/bootstrap_labels | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260820T1812399309960000/6839 | name | ef:agent/bootstrap_labels | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260820T1812399309960000/6840 | synonyms | ef:agent/bootstrap_labels | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260820T1812399309960000/51816 | context | ef:agent/default_context_mapping | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260820T1812399309960000/51817 | context_iri | ef:agent/default_context_mapping | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260820T1812399309960000/215621 | unit_iri | ef:agent/unit_normalization | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260820T1812399309960000/233740 | properties | ef:agent/enrich_references | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260820T1812399309960000/233741 | skos_definition | ef:agent/enrich_references | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260820T1812399309960000/233742 | references | ef:agent/enrich_references | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260820T1812399309960000/250207 | properties | ef:agent/rdkit_pre_consensus | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260820T1812399309960000/255227 | altLabel | ef:agent/chebi_altlabels | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260820T1812399309960000/258096 | altLabel | ef:agent/consensus_match | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260820T1812399309960000/258097 | cas_match_labels | ef:agent/consensus_match | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260820T1812399309960000/275346 | properties | ef:agent/opsin_iupac | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260820T1812399309960000/281853 | properties | ef:agent/rdkit_post_consensus | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260820T1812399309960000/288647 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260820T1812399309960000/306928 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260820T1812399309960000/389644 | properties | ef:agent/normalise_property_values | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260820T1812399309960000/396885 | types | ef:agent/link_flows_to_their_substance | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/172b00f6-6556-11dd-ad8b-0800200c9a66/v19 |