3-(4-tert-butylphenyl)-2-methylpropanal
Everything that changed this flow. Back to the flow
986d7f2f-5d03-4cb0-bae9-2af053b01d6f
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 22275' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-(4-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'80-54-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fba68bdd542291f4: {'80-54-6': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['80-54-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[6652, 194296, 228987]; selected_pubchem_cids=[228987]; 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 |
|---|---|---|---|---|---|
| 14,903 | bootstrap_labels | prefLabel | — | [{"@value":"3-(4-tert-butylphenyl)-2-methylpropanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 14,904 | bootstrap_labels | name | 3-(4-tert-butylphenyl)-2-methylpropanal | — | Purged legacy name field to enforce prefLabel usage |
| 14,905 | bootstrap_labels | synonyms | ["organic","2-(4-tert-butylbenzyl)propionaldehyde","(â±)-2-methyl-3-(4-tert-butylphenyl)propanal","2-(4-tert-butylbenzy… | [] | Removed legacy synonyms field in favor of structured labels |
| 140,338 | 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 |
| 140,339 | 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 |
| 218,250 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,271 | 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) |
| 241,272 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,273 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.845A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['80-54-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[6652, 194296, 228987]; selected_pubchem_cids=[228987]; 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 |
| 252,376 | 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=C(C=C1)C(C)(C)C)C=O'; added: molecular_mass, monoisotopic_mass |
| 261,759 | consensus_match | altLabel | [] | [{"@value":"(±)-2-Methyl-3-(4-<em>tert</em>-butylphenyl)propanal","@language":"en","source":{"prov:wasGeneratedBy":"con… | group_key=3-(4-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Unknown; cas=80-54-6; added Common Chemistry CAS names as altLabel: (±)-2-Methyl-3-(4-<em>tert</em>-butylphenyl)propanal, 2-(4-<em>tert</em>-Butylbenzyl)propanal, 2-(4-<em>tert</em>-Butylbenzyl)propionaldehyde, 2-Methyl-3-(4-<em>tert</em>-butylphenyl)propanal, 2-Methyl-3-(<em>p</em>-<em>tert</em>-butylphenyl)propanal, 2-[(4-<em>tert</em>-Butylphenyl)methyl]propanal, 3-(<em>p</em>-<em>tert</em>-Butylphenyl)-2-methylpropionaldehyde, 3-(<em>p</em>-<em>tert</em>-Butylphenyl)isobutylaldehyde, 4-(1,1-Dimethylethyl)-α-methylbenzenepropanal, 4-<em>tert</em>-Butyl-α-methylhydrocinnamic aldehyde, <em>p</em>-<em>tert</em>-Butyl-α-methyldihydrocinnamaldehyde, <em>p</em>-<em>tert</em>-Butyl-α-methylhydrocinnamaldehyde, <em>p</em>-<em>tert</em>-Butyl-α-methylhydrocinnamic aldehyde, Benzenepropanal, 4-(1,1-dimethylethyl)-α-methyl-, Butylphenyl methylpropional, Hydrocinnamaldehyde, <em>p</em>-<em>tert</em>-butyl-α-methyl-, Lilestralis, Lilestralis 33, Lilial, Lysmeral, Lysmeral Extra, NSC 22275, P-T-Bucinal, PT-Bucinal, lilestral, α-Methyl-<em>p</em>-<em>tert</em>-butylhydrocinnamaldehyde, β-Lilial; object_uuid=fo-fba68bdd542291f4 |
| 261,760 | consensus_match | cas_match_labels | — | {"80-54-6":"exactMatch"} | group_key=3-(4-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'80-54-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fba68bdd542291f4: {'80-54-6': 'exactMatch'} |
| 277,570 | 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-(4-tert-butylphenyl)-2-methylpropanal' |
| 284,266 | 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)Cc1ccc(C(C)(C)C)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,304 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-2-Methyl-3-(4-<em>tert</em>-butylphenyl)propanal","@language":"en","source":{"prov:wasGeneratedBy":"con… | [{"@value":"(±)-2-Methyl-3-(4-tert-butylphenyl)propanal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 1 catalogue altLabel value(s): 'NSC 22275' (registry code) |
| 351,170 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/986d7f2f-5d03-… | associations resolved on the elementary layer |
| 391,925 | 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 |
| 400,173 | 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/20260821T1302361922970000/14903 | prefLabel | ef:agent/bootstrap_labels | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v0 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v1 |
| ef:activity/change/20260821T1302361922970000/14904 | name | ef:agent/bootstrap_labels | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v1 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v2 |
| ef:activity/change/20260821T1302361922970000/14905 | synonyms | ef:agent/bootstrap_labels | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v2 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v3 |
| ef:activity/change/20260821T1302361922970000/140338 | context | ef:agent/default_context_mapping | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v3 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v4 |
| ef:activity/change/20260821T1302361922970000/140339 | context_iri | ef:agent/default_context_mapping | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v4 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v5 |
| ef:activity/change/20260821T1302361922970000/218250 | unit_iri | ef:agent/unit_normalization | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v5 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v6 |
| ef:activity/change/20260821T1302361922970000/241271 | properties | ef:agent/enrich_references | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v6 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v7 |
| ef:activity/change/20260821T1302361922970000/241272 | skos_definition | ef:agent/enrich_references | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v7 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v8 |
| ef:activity/change/20260821T1302361922970000/241273 | references | ef:agent/enrich_references | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v8 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v9 |
| ef:activity/change/20260821T1302361922970000/252376 | properties | ef:agent/rdkit_pre_consensus | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v9 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v10 |
| ef:activity/change/20260821T1302361922970000/261759 | altLabel | ef:agent/consensus_match | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v10 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v11 |
| ef:activity/change/20260821T1302361922970000/261760 | cas_match_labels | ef:agent/consensus_match | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v11 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v12 |
| ef:activity/change/20260821T1302361922970000/277570 | properties | ef:agent/opsin_iupac | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v12 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v13 |
| ef:activity/change/20260821T1302361922970000/284266 | properties | ef:agent/rdkit_post_consensus | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v13 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v14 |
| ef:activity/change/20260821T1302361922970000/290304 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v14 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v15 |
| ef:activity/change/20260821T1302361922970000/351170 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v15 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v16 |
| ef:activity/change/20260821T1302361922970000/391925 | properties | ef:agent/normalise_property_values | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v16 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v17 |
| ef:activity/change/20260821T1302361922970000/400173 | types | ef:agent/link_flows_to_their_substance | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v17 | ef:flow/986d7f2f-5d03-4cb0-bae9-2af053b01d6f/v18 |