3-(3-tert-butylphenyl)-2-methylpropanal
Everything that changed this flow. Back to the flow
08419232-ab2a-4f7e-bc9c-d8c2c0997a02
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 | 1 | consensus_match | group_key=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; cas=62518-65-4; added Common Chemistry CAS names as altLabel: 3-(1,1-Dimethylethyl)-α-methylbenzenepropanal, 3-(3-Tertbutylphenyl)-2-methylpropanal, Benzenepropanal, 3-(1,1-dimethylethyl)-α-methyl-; object_uuid=fo-e595f3ce5bc0e29c |
| cas_match_labels | 1 | consensus_match | group_key=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'62518-65-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e595f3ce5bc0e29c: {'62518-65-4': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['62518-65-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[112494, 537332, 92287306]; selected_pubchem_cids=[112494]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,334 | bootstrap_labels | prefLabel | — | [{"@value":"3-(3-tert-butylphenyl)-2-methylpropanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 1,335 | bootstrap_labels | name | 3-(3-tert-butylphenyl)-2-methylpropanal | — | Purged legacy name field to enforce prefLabel usage |
| 1,336 | bootstrap_labels | synonyms | ["organic","3-(m-tert-butylphenyl)-2-methylpropionaldehyde"] | [] | Removed legacy synonyms field in favor of structured labels |
| 31,648 | 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 |
| 31,649 | 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 |
| 213,780 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,458 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,459 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,460 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.062J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['62518-65-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[112494, 537332, 92287306]; selected_pubchem_cids=[112494]; 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 |
| 248,684 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | rdkit_pre_consensus from 'CC(CC1=CC(=CC=C1)C(C)(C)C)C=O'; added: molecular_mass, monoisotopic_mass |
| 261,749 | consensus_match | altLabel | [] | [{"@value":"3-(1,1-Dimethylethyl)-α-methylbenzenepropanal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; cas=62518-65-4; added Common Chemistry CAS names as altLabel: 3-(1,1-Dimethylethyl)-α-methylbenzenepropanal, 3-(3-Tertbutylphenyl)-2-methylpropanal, Benzenepropanal, 3-(1,1-dimethylethyl)-α-methyl-; object_uuid=fo-e595f3ce5bc0e29c |
| 261,750 | consensus_match | cas_match_labels | — | {"62518-65-4":"exactMatch"} | group_key=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'62518-65-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e595f3ce5bc0e29c: {'62518-65-4': 'exactMatch'} |
| 273,804 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(3-tert-butylphenyl)-2-methylpropanal' |
| 280,187 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | rdkit_post_consensus from 'CC(C=O)Cc1cccc(C(C)(C)C)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 296,856 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08419232-ab2a-… | associations resolved on the elementary layer |
| 388,083 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20O"],… | typed the way the ontology types it |
| 394,682 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1812399309960000/1334 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v0 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v1 |
| ef:activity/change/20260820T1812399309960000/1335 | name | ef:agent/bootstrap_labels | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v1 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v2 |
| ef:activity/change/20260820T1812399309960000/1336 | synonyms | ef:agent/bootstrap_labels | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v2 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v3 |
| ef:activity/change/20260820T1812399309960000/31648 | context | ef:agent/default_context_mapping | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v3 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v4 |
| ef:activity/change/20260820T1812399309960000/31649 | context_iri | ef:agent/default_context_mapping | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v4 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v5 |
| ef:activity/change/20260820T1812399309960000/213780 | unit_iri | ef:agent/unit_normalization | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v5 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v6 |
| ef:activity/change/20260820T1812399309960000/228458 | properties | ef:agent/enrich_references | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v6 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v7 |
| ef:activity/change/20260820T1812399309960000/228459 | skos_definition | ef:agent/enrich_references | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v7 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v8 |
| ef:activity/change/20260820T1812399309960000/228460 | references | ef:agent/enrich_references | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v8 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v9 |
| ef:activity/change/20260820T1812399309960000/248684 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v9 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v10 |
| ef:activity/change/20260820T1812399309960000/261749 | altLabel | ef:agent/consensus_match | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v10 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v11 |
| ef:activity/change/20260820T1812399309960000/261750 | cas_match_labels | ef:agent/consensus_match | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v11 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v12 |
| ef:activity/change/20260820T1812399309960000/273804 | properties | ef:agent/opsin_iupac | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v12 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v13 |
| ef:activity/change/20260820T1812399309960000/280187 | properties | ef:agent/rdkit_post_consensus | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v13 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v14 |
| ef:activity/change/20260820T1812399309960000/296856 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v14 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v15 |
| ef:activity/change/20260820T1812399309960000/388083 | properties | ef:agent/normalise_property_values | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v15 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v16 |
| ef:activity/change/20260820T1812399309960000/394682 | types | ef:agent/link_flows_to_their_substance | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v16 | ef:flow/08419232-ab2a-4f7e-bc9c-d8c2c0997a02/v17 |