4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
Everything that changed this flow. Back to the flow
97597085-fae3-43b4-bda8-8ce45487981e
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'720-94-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-647b49674f7af646: {'720-94-5': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['720-94-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[887, 550193, 4962599]; selected_pubchem_cids=[550193]; 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 |
|---|---|---|---|---|---|
| 9,728 | bootstrap_labels | prefLabel | — | [{"@value":"4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 9,729 | bootstrap_labels | name | 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione | — | Purged legacy name field to enforce prefLabel usage |
| 9,730 | bootstrap_labels | synonyms | ["organic","1,3-butanedione,4,4,4-trifluoro-1-(4-methylphenyl)-othernames4,4,4,trifluoro-1(4-methylphenyl)-butane-1,3-d… | [] | Removed legacy synonyms field in favor of structured labels |
| 139,682 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 139,683 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 216,572 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,474 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,475 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,476 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.325.932A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['720-94-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[887, 550193, 4962599]; selected_pubchem_cids=[550193]; 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 |
| 250,988 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 262,369 | consensus_match | altLabel | [] | [{"@value":"(4-Methylbenzoyl)trifluoroacetone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione||dimension=Environmental > media=Water > water_body=Surface water; cas=720-94-5; added Common Chemistry CAS names as altLabel: (4-Methylbenzoyl)trifluoroacetone, 1,1,1-Trifluoro-4-(4-methylphenyl)-2,4-butanedione, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-, 1,3-Butanedione, 4,4,4-trifluoro-1-<em>p</em>-tolyl-, 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione, 4,4,4-Trifluoro-1-(4-tolyl)-1,3-butanedione, 4,4,4-Trifluoro-1-(<em>p</em>-tolyl)butan-1,3-dione, 4,4,4-Trifluoro-1-(<em>p</em>-tolyl)butane-1,3-dione, 4-(4-Methylphenyl)-1,1,1-trifluorobutane-2,4-dione, 4-Methyl-1-(4,4,4-trifluoro-3-oxobutanoyl)benzene; object_uuid=fo-647b49674f7af646 |
| 262,370 | consensus_match | cas_match_labels | — | {"720-94-5":"exactMatch"} | group_key=4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'720-94-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-647b49674f7af646: {'720-94-5': 'exactMatch'} |
| 276,174 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione' |
| 282,756 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | rdkit_post_consensus from 'Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,464 | dedupe_altlabels | altLabel | [{"@value":"(4-Methylbenzoyl)trifluoroacetone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"(4-Methylbenzoyl)trifluoroacetone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Deduplicated altLabel values and removed entries matching prefLabel |
| 350,842 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/97597085-fae3-… | associations resolved on the elementary layer |
| 390,519 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H9F3O2"… | typed the way the ontology types it |
| 398,162 | 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/20260821T1554374006150000/9728 | prefLabel | ef:agent/bootstrap_labels | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v0 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v1 |
| ef:activity/change/20260821T1554374006150000/9729 | name | ef:agent/bootstrap_labels | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v1 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v2 |
| ef:activity/change/20260821T1554374006150000/9730 | synonyms | ef:agent/bootstrap_labels | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v2 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v3 |
| ef:activity/change/20260821T1554374006150000/139682 | context | ef:agent/default_context_mapping | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v3 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v4 |
| ef:activity/change/20260821T1554374006150000/139683 | context_iri | ef:agent/default_context_mapping | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v4 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v5 |
| ef:activity/change/20260821T1554374006150000/216572 | unit_iri | ef:agent/unit_normalization | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v5 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v6 |
| ef:activity/change/20260821T1554374006150000/236474 | properties | ef:agent/enrich_references | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v6 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v7 |
| ef:activity/change/20260821T1554374006150000/236475 | skos_definition | ef:agent/enrich_references | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v7 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v8 |
| ef:activity/change/20260821T1554374006150000/236476 | references | ef:agent/enrich_references | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v8 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v9 |
| ef:activity/change/20260821T1554374006150000/250988 | properties | ef:agent/rdkit_pre_consensus | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v9 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v10 |
| ef:activity/change/20260821T1554374006150000/262369 | altLabel | ef:agent/consensus_match | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v10 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v11 |
| ef:activity/change/20260821T1554374006150000/262370 | cas_match_labels | ef:agent/consensus_match | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v11 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v12 |
| ef:activity/change/20260821T1554374006150000/276174 | properties | ef:agent/opsin_iupac | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v12 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v13 |
| ef:activity/change/20260821T1554374006150000/282756 | properties | ef:agent/rdkit_post_consensus | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v13 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v14 |
| ef:activity/change/20260821T1554374006150000/292464 | altLabel | ef:agent/dedupe_altlabels | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v14 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v15 |
| ef:activity/change/20260821T1554374006150000/350842 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v15 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v16 |
| ef:activity/change/20260821T1554374006150000/390519 | properties | ef:agent/normalise_property_values | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v16 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v17 |
| ef:activity/change/20260821T1554374006150000/398162 | types | ef:agent/link_flows_to_their_substance | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v17 | ef:flow/97597085-fae3-43b4-bda8-8ce45487981e/v18 |