2,2-dimethylbutane
Everything that changed this flow. Back to the flow
e2fa8fa8-6555-11dd-ad8b-0800200c9a66
By field
14 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 74126' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,2-dimethylbutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'75-83-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb15ec7d903d8606: {'75-83-2': '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 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 200-906-8 from CAS 75-83-2 |
| 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=['75-83-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[6403, 13512, 242912, 3108374]; selected_pubchem_cids=[6403]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,617 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylbutane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 22,618 | bootstrap_labels | name | 2,2-dimethylbutane | — | Purged legacy name field to enforce prefLabel usage |
| 22,619 | bootstrap_labels | synonyms | ["AC1L1MGC","AC1Q1MGO","AC1Q2RW8","Butane, 2,2-dimethyl-","LTBB004351","Neohexane"] | [] | Removed legacy synonyms field in favor of structured labels |
| 185,120 | 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 |
| 185,121 | 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 |
| 220,507 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,071 | ec_cross_check | ec_numbers | [] | ["200-906-8"] | Resolved from EC-inventory: 200-906-8 from CAS 75-83-2 |
| 247,540 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,541 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,542 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.821A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['75-83-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[6403, 13512, 242912, 3108374]; selected_pubchem_cids=[6403]; 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 |
| 254,189 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | rdkit_pre_consensus from 'CCC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 259,656 | consensus_match | altLabel | [] | [{"@value":"3,3-Dimethylbutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | group_key=2,2-dimethylbutane||dimension=Environmental > media=Air > strata=Unknown; cas=75-83-2; added Common Chemistry CAS names as altLabel: 3,3-Dimethylbutane, <em>tert</em>-Butylethane, Butane, 2,2-dimethyl-, NSC 74126, Neohexane; object_uuid=fo-eb15ec7d903d8606 |
| 259,657 | consensus_match | cas_match_labels | — | {"75-83-2":"exactMatch"} | group_key=2,2-dimethylbutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'75-83-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb15ec7d903d8606: {'75-83-2': 'exactMatch'} |
| 279,400 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-dimethylbutane' |
| 286,276 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | rdkit_post_consensus from 'CCC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,629 | strip_catalogue_altlabels | altLabel | [{"@value":"3,3-Dimethylbutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | [{"@value":"3,3-Dimethylbutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | Removed 1 catalogue altLabel value(s): 'NSC 74126' (registry code) |
| 373,580 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fa8fa8-6555-… | associations resolved on the elementary layer |
| 393,790 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14"],"a… | typed the way the ontology types it |
| 402,977 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T0609040591070000/22617 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T0609040591070000/22618 | name | ef:agent/bootstrap_labels | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T0609040591070000/22619 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T0609040591070000/185120 | context | ef:agent/default_context_mapping | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T0609040591070000/185121 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T0609040591070000/220507 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T0609040591070000/227071 | ec_numbers | ef:agent/ec_cross_check | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T0609040591070000/247540 | properties | ef:agent/enrich_references | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T0609040591070000/247541 | skos_definition | ef:agent/enrich_references | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T0609040591070000/247542 | references | ef:agent/enrich_references | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T0609040591070000/254189 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T0609040591070000/259656 | altLabel | ef:agent/consensus_match | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T0609040591070000/259657 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T0609040591070000/279400 | properties | ef:agent/opsin_iupac | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T0609040591070000/286276 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T0609040591070000/291629 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T0609040591070000/373580 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T0609040591070000/393790 | properties | ef:agent/normalise_property_values | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260821T0609040591070000/402977 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fa8fa8-6555-11dd-ad8b-0800200c9a66/v19 |