Isopropyl 2-bromoisobutyrate
Everything that changed this flow. Back to the flow
824edae0-508c-44c2-9e17-63084f54d065
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=isopropyl2-bromoisobutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=51368-55-9; added Common Chemistry CAS names as altLabel: 1-Methylethyl 2-bromo-2-methylpropanoate, 2-Bromo-2-methylpropanoic acid isopropyl ester, Isopropyl 2-bromo-2-methylpropanoate, Isopropyl α-bromoisobutyrate, Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester, Propionic acid, 2-bromo-2-methyl-, isopropyl ester; object_uuid=fo-6ca1cb84596c3e86 |
| cas_match_labels | 1 | consensus_match | group_key=isopropyl2-bromoisobutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'51368-55-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ca1cb84596c3e86: {'51368-55-9': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['51368-55-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[2796293]; selected_pubchem_cids=[2796293]; 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 |
|---|---|---|---|---|---|
| 5,408 | bootstrap_labels | prefLabel | — | [{"@value":"isopropyl 2-bromoisobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 5,409 | bootstrap_labels | name | isopropyl 2-bromoisobutyrate | — | Purged legacy name field to enforce prefLabel usage |
| 5,410 | bootstrap_labels | synonyms | ["organic","isopropyl2-bromo-2-methylpropionate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 127,266 | 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 |
| 127,267 | 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 |
| 215,144 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,347 | normalize_name_case | prefLabel | [{"@value":"isopropyl 2-bromoisobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Isopropyl 2-bromoisobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,375 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,376 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,377 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.700E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['51368-55-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[2796293]; selected_pubchem_cids=[2796293]; 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 |
| 249,807 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | rdkit_pre_consensus from 'CC(C)OC(=O)C(C)(C)Br'; added: molecular_mass, monoisotopic_mass |
| 268,183 | consensus_match | altLabel | [] | [{"@value":"1-Methylethyl 2-bromo-2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=isopropyl2-bromoisobutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=51368-55-9; added Common Chemistry CAS names as altLabel: 1-Methylethyl 2-bromo-2-methylpropanoate, 2-Bromo-2-methylpropanoic acid isopropyl ester, Isopropyl 2-bromo-2-methylpropanoate, Isopropyl α-bromoisobutyrate, Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester, Propionic acid, 2-bromo-2-methyl-, isopropyl ester; object_uuid=fo-6ca1cb84596c3e86 |
| 268,184 | consensus_match | cas_match_labels | — | {"51368-55-9":"exactMatch"} | group_key=isopropyl2-bromoisobutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'51368-55-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ca1cb84596c3e86: {'51368-55-9': 'exactMatch'} |
| 274,948 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isopropyl 2-bromoisobutyrate' |
| 281,427 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | rdkit_post_consensus from 'CC(C)OC(=O)C(C)(C)Br'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 344,635 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/824edae0-508c-… | associations resolved on the elementary layer |
| 389,254 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13BrO2"… | typed the way the ontology types it |
| 396,323 | 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/20260822T0600486828500000/5408 | prefLabel | ef:agent/bootstrap_labels | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v0 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v1 |
| ef:activity/change/20260822T0600486828500000/5409 | name | ef:agent/bootstrap_labels | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v1 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v2 |
| ef:activity/change/20260822T0600486828500000/5410 | synonyms | ef:agent/bootstrap_labels | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v2 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v3 |
| ef:activity/change/20260822T0600486828500000/127266 | context | ef:agent/default_context_mapping | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v3 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v4 |
| ef:activity/change/20260822T0600486828500000/127267 | context_iri | ef:agent/default_context_mapping | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v4 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v5 |
| ef:activity/change/20260822T0600486828500000/215144 | unit_iri | ef:agent/unit_normalization | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v5 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v6 |
| ef:activity/change/20260822T0600486828500000/222347 | prefLabel | ef:agent/normalize_name_case | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v6 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v7 |
| ef:activity/change/20260822T0600486828500000/232375 | properties | ef:agent/enrich_references | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v7 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v8 |
| ef:activity/change/20260822T0600486828500000/232376 | skos_definition | ef:agent/enrich_references | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v8 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v9 |
| ef:activity/change/20260822T0600486828500000/232377 | references | ef:agent/enrich_references | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v9 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v10 |
| ef:activity/change/20260822T0600486828500000/249807 | properties | ef:agent/rdkit_pre_consensus | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v10 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v11 |
| ef:activity/change/20260822T0600486828500000/268183 | altLabel | ef:agent/consensus_match | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v11 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v12 |
| ef:activity/change/20260822T0600486828500000/268184 | cas_match_labels | ef:agent/consensus_match | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v12 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v13 |
| ef:activity/change/20260822T0600486828500000/274948 | properties | ef:agent/opsin_iupac | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v13 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v14 |
| ef:activity/change/20260822T0600486828500000/281427 | properties | ef:agent/rdkit_post_consensus | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v14 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v15 |
| ef:activity/change/20260822T0600486828500000/344635 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v15 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v16 |
| ef:activity/change/20260822T0600486828500000/389254 | properties | ef:agent/normalise_property_values | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v16 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v17 |
| ef:activity/change/20260822T0600486828500000/396323 | types | ef:agent/link_flows_to_their_substance | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v17 | ef:flow/824edae0-508c-44c2-9e17-63084f54d065/v18 |