Ethyl 4,4,4-trifluoro-3-oxobutanoate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-a58ab5391606ab90
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,657 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl 4,4,4-trifluoro-3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 14,658 | bootstrap_labels | name | ethyl 4,4,4-trifluoro-3-oxobutanoate | — | Purged legacy name field to enforce prefLabel usage |
| 14,659 | bootstrap_labels | synonyms | ["organic","ethyl4,4,4-trifluoroacetoacetate","acetoaceticacid,4,4,4-trifluoro-,ethylester","ethyl4,4,4-trifluoro-3-oxo… | [] | Removed legacy synonyms field in favor of structured labels |
| 49,708 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 49,709 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 58,804 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 58,805 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 61,278 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 61,279 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 80,006 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 80,007 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 124,810 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 124,811 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 133,628 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 133,629 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 134,384 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 134,385 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 142,430 | 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) |
| 142,431 | 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) |
| 152,064 | 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) |
| 152,065 | 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) |
| 164,082 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 164,083 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 172,230 | 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 |
| 172,231 | 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 |
| 176,992 | 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 |
| 176,993 | 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 |
| 193,522 | 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 |
| 193,523 | 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 |
| 218,173 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,479 | normalize_name_case | prefLabel | [{"@value":"ethyl 4,4,4-trifluoro-3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Ethyl 4,4,4-trifluoro-3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,046 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,047 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,048 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.821K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['372-31-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[67756, 67793, 19786400, 71463947]; selected_pubchem_cids=[67793]; 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 |
| 252,308 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | rdkit_pre_consensus from 'CCOC(=O)CC(=O)C(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 266,849 | consensus_match | altLabel | [] | [{"@value":"1-Ethoxy-4,4,4-trifluorobutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=ethyl4,4,4-trifluoro-3-oxobutanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=372-31-6; added Common Chemistry CAS names as altLabel: 1-Ethoxy-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester, 4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester, 4,4,4-Trifluoroacetoacetic acid ethyl ester, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, Ethyl (trifluoroacetyl)acetate, Ethyl 3-oxo-4,4,4-trifluorobutanoate, Ethyl 4,4,4-trifloro-3-oxo-butanoate, Ethyl 4,4,4-trifluoro-3-oxobutyrate, Ethyl 4,4,4-trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetylacetonate, Ethyl trifluoroacetoacetate, Ethyl γ,γ,γ-trifluoroacetoacetate, Ethyl ω,ω,ω-trifluoroacetoacetate, NSC 42739, NSC 49750; object_uuid=fo-a58ab5391606ab90 |
| 266,850 | consensus_match | cas_match_labels | — | {"372-31-6":"exactMatch"} | group_key=ethyl4,4,4-trifluoro-3-oxobutanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'372-31-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a58ab5391606ab90: {'372-31-6': 'exactMatch'} |
| 277,503 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl 4,4,4-trifluoro-3-oxobutanoate' |
| 284,193 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7F3O3"]… | rdkit_post_consensus from 'CCOC(=O)CC(=O)C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,262 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Ethoxy-4,4,4-trifluorobutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1-Ethoxy-4,4,4-trifluorobutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 2 catalogue altLabel value(s): 'NSC 42739' (registry code), 'NSC 49750' (registry code) |
| 305,881 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/14eac11b-d9f4-… | associations resolved on the elementary layer |
| 310,424 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2114e45d-fee5-… | associations resolved on the elementary layer |
| 311,658 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/253e91e6-c058-… | associations resolved on the elementary layer |
| 321,016 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/40cefb0d-6ef2-… | associations resolved on the elementary layer |
| 343,407 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7e2006ce-a3b3-… | associations resolved on the elementary layer |
| 347,810 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8ce0d73b-5942-… | associations resolved on the elementary layer |
| 348,188 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8e2ed4fc-34c1-… | associations resolved on the elementary layer |
| 352,217 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9bb7cfde-4672-… | associations resolved on the elementary layer |
| 357,055 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/abeb6770-820f-… | associations resolved on the elementary layer |
| 363,067 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c0e61a31-3dce-… | associations resolved on the elementary layer |