Sodium 2-methylpropan-2-olate
Everything that changed this flow. Back to the flow
68d31b1b-0793-4899-a594-7360aac14710
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=sodium2-methylpropan-2-olate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'865-48-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3116bd84b586d73c: {'865-48-5': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['865-48-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[108495, 23676156, 45051916]; selected_pubchem_cids=[45051916]; 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 |
|---|---|---|---|---|---|
| 20,268 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-methylpropan-2-olate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 20,269 | bootstrap_labels | name | sodium 2-methylpropan-2-olate | — | Purged legacy name field to enforce prefLabel usage |
| 20,270 | bootstrap_labels | synonyms | ["organic","sodium2-methylpropan-2-olate","na-tert.-butylatl","sodiumtert-butoxide","stb","teoca"] | [] | Removed legacy synonyms field in favor of structured labels |
| 112,222 | 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 |
| 112,223 | 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 |
| 219,908 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,686 | normalize_name_case | prefLabel | [{"@value":"sodium 2-methylpropan-2-olate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Sodium 2-methylpropan-2-olate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,922 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,923 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,924 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.011.584","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['865-48-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[108495, 23676156, 45051916]; selected_pubchem_cids=[45051916]; 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 |
| 253,718 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | rdkit_pre_consensus from 'CC(C)(C)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,739 | consensus_match | altLabel | [] | [{"@value":"2-Methyl-2-propanol sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=sodium2-methylpropan-2-olate||dimension=Environmental > media=Ground > geography=Unknown; cas=865-48-5; added Common Chemistry CAS names as altLabel: 2-Methyl-2-propanol sodium salt, 2-Methylpropan-2-olate sodium, 2-Propanol, 2-methyl-, sodium salt, 2-Propanol, 2-methyl-, sodium salt (1:1), <em>tert</em>-Butanol sodium salt, <em>tert</em>-Butoxysodium, <em>tert</em>-Butyl alcohol, sodium salt, Sodium <em>t</em>-butoxide, Sodium <em>tert</em>-butanolate, Sodium <em>tert</em>-butoxide, Sodium <em>tert</em>-butylate; object_uuid=fo-3116bd84b586d73c |
| 271,740 | consensus_match | cas_match_labels | — | {"865-48-5":"exactMatch"} | group_key=sodium2-methylpropan-2-olate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'865-48-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3116bd84b586d73c: {'865-48-5': 'exactMatch'} |
| 285,740 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | rdkit_post_consensus from 'CC(C)(C)O.[Na]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,077 | dedupe_altlabels | altLabel | [{"@value":"2-Methyl-2-propanol sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"2-Methyl-2-propanol sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Deduplicated altLabel values and removed entries matching prefLabel |
| 337,110 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68d31b1b-0793-… | associations resolved on the elementary layer |
| 393,307 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10NaO"]… | typed the way the ontology types it |
| 402,203 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1302361922970000/20268 | prefLabel | ef:agent/bootstrap_labels | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v0 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v1 |
| ef:activity/change/20260821T1302361922970000/20269 | name | ef:agent/bootstrap_labels | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v1 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v2 |
| ef:activity/change/20260821T1302361922970000/20270 | synonyms | ef:agent/bootstrap_labels | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v2 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v3 |
| ef:activity/change/20260821T1302361922970000/112222 | context | ef:agent/default_context_mapping | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v3 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v4 |
| ef:activity/change/20260821T1302361922970000/112223 | context_iri | ef:agent/default_context_mapping | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v4 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v5 |
| ef:activity/change/20260821T1302361922970000/219908 | unit_iri | ef:agent/unit_normalization | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v5 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v6 |
| ef:activity/change/20260821T1302361922970000/225686 | prefLabel | ef:agent/normalize_name_case | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v6 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v7 |
| ef:activity/change/20260821T1302361922970000/245922 | properties | ef:agent/enrich_references | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v7 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v8 |
| ef:activity/change/20260821T1302361922970000/245923 | skos_definition | ef:agent/enrich_references | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v8 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v9 |
| ef:activity/change/20260821T1302361922970000/245924 | references | ef:agent/enrich_references | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v9 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v10 |
| ef:activity/change/20260821T1302361922970000/253718 | properties | ef:agent/rdkit_pre_consensus | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v10 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v11 |
| ef:activity/change/20260821T1302361922970000/271739 | altLabel | ef:agent/consensus_match | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v11 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v12 |
| ef:activity/change/20260821T1302361922970000/271740 | cas_match_labels | ef:agent/consensus_match | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v12 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v13 |
| ef:activity/change/20260821T1302361922970000/285740 | properties | ef:agent/rdkit_post_consensus | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v13 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v14 |
| ef:activity/change/20260821T1302361922970000/293077 | altLabel | ef:agent/dedupe_altlabels | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v14 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v15 |
| ef:activity/change/20260821T1302361922970000/337110 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v15 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v16 |
| ef:activity/change/20260821T1302361922970000/393307 | properties | ef:agent/normalise_property_values | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v16 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v17 |
| ef:activity/change/20260821T1302361922970000/402203 | types | ef:agent/link_flows_to_their_substance | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v17 | ef:flow/68d31b1b-0793-4899-a594-7360aac14710/v18 |