2,5-dimethylhexane-2,5-diol
Everything that changed this flow. Back to the flow
f680e83f-3426-4304-b143-de07729e5c42
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 5595' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,5-dimethylhexane-2,5-diol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'110-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cf5d3a7bd833c462: {'110-03-2': '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 |
| 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=['110-03-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[8031, 160924, 2761035]; selected_pubchem_cids=[8031]; 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 |
|---|---|---|---|---|---|
| 14,360 | bootstrap_labels | prefLabel | — | [{"@value":"2,5-dimethylhexane-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 14,361 | bootstrap_labels | name | 2,5-dimethylhexane-2,5-diol | — | Purged legacy name field to enforce prefLabel usage |
| 14,362 | bootstrap_labels | synonyms | ["organic","2,5-dimethylhexane-2,5-diol","1,1,4,4-tetramethyl-1,4-butanediol","2,5-dihydroxy-2,5-dimethylhexane","2,5-d… | [] | Removed legacy synonyms field in favor of structured labels |
| 197,910 | 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 |
| 197,911 | 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 |
| 218,081 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,779 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,780 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,781 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J126.489C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['110-03-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[8031, 160924, 2761035]; selected_pubchem_cids=[8031]; 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 |
| 252,231 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | rdkit_pre_consensus from 'CC(C)(CCC(C)(C)O)O'; added: molecular_mass, monoisotopic_mass |
| 260,040 | consensus_match | altLabel | [] | [{"@value":"1,1,4,4-Tetramethyl-1,4-butanediol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=2,5-dimethylhexane-2,5-diol||dimension=Environmental > media=Ground > geography=Unknown; cas=110-03-2; added Common Chemistry CAS names as altLabel: 1,1,4,4-Tetramethyl-1,4-butanediol, 2,5-Dihydroxy-2,5-dimethylhexane, 2,5-Dimethyl-2,5-dihydroxyhexane, 2,5-Dimethyl-2,5-hexanediol, 2,5-Hexanediol, 2,5-dimethyl-, NSC 5595; object_uuid=fo-cf5d3a7bd833c462 |
| 260,041 | consensus_match | cas_match_labels | — | {"110-03-2":"exactMatch"} | group_key=2,5-dimethylhexane-2,5-diol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'110-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cf5d3a7bd833c462: {'110-03-2': 'exactMatch'} |
| 277,426 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,5-dimethylhexane-2,5-diol' |
| 284,110 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | rdkit_post_consensus from 'CC(C)(O)CCC(C)(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,197 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,4,4-Tetramethyl-1,4-butanediol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"1,1,4,4-Tetramethyl-1,4-butanediol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Removed 1 catalogue altLabel value(s): 'NSC 5595' (registry code) |
| 379,989 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f680e83f-3426-… | associations resolved on the elementary layer |
| 391,780 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | typed the way the ontology types it |
| 399,966 | 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/20260821T1302361922970000/14360 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v0 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v1 |
| ef:activity/change/20260821T1302361922970000/14361 | name | ef:agent/bootstrap_labels | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v1 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v2 |
| ef:activity/change/20260821T1302361922970000/14362 | synonyms | ef:agent/bootstrap_labels | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v2 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v3 |
| ef:activity/change/20260821T1302361922970000/197910 | context | ef:agent/default_context_mapping | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v3 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v4 |
| ef:activity/change/20260821T1302361922970000/197911 | context_iri | ef:agent/default_context_mapping | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v4 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v5 |
| ef:activity/change/20260821T1302361922970000/218081 | unit_iri | ef:agent/unit_normalization | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v5 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v6 |
| ef:activity/change/20260821T1302361922970000/240779 | properties | ef:agent/enrich_references | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v6 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v7 |
| ef:activity/change/20260821T1302361922970000/240780 | skos_definition | ef:agent/enrich_references | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v7 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v8 |
| ef:activity/change/20260821T1302361922970000/240781 | references | ef:agent/enrich_references | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v8 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v9 |
| ef:activity/change/20260821T1302361922970000/252231 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v9 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v10 |
| ef:activity/change/20260821T1302361922970000/260040 | altLabel | ef:agent/consensus_match | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v10 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v11 |
| ef:activity/change/20260821T1302361922970000/260041 | cas_match_labels | ef:agent/consensus_match | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v11 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v12 |
| ef:activity/change/20260821T1302361922970000/277426 | properties | ef:agent/opsin_iupac | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v12 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v13 |
| ef:activity/change/20260821T1302361922970000/284110 | properties | ef:agent/rdkit_post_consensus | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v13 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v14 |
| ef:activity/change/20260821T1302361922970000/290197 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v14 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v15 |
| ef:activity/change/20260821T1302361922970000/379989 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v15 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v16 |
| ef:activity/change/20260821T1302361922970000/391780 | properties | ef:agent/normalise_property_values | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v16 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v17 |
| ef:activity/change/20260821T1302361922970000/399966 | types | ef:agent/link_flows_to_their_substance | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v17 | ef:flow/f680e83f-3426-4304-b143-de07729e5c42/v18 |