2-Ethyl-1,3-hexanediol
Everything that changed this flow. Back to the flow
eab0715e-166c-4569-96de-8370fd27b148
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 3881' (registry code), 'Repellent 612' (trade name), 'Rutgers 612' (trade name) |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=94-96-2; cc_chebi_agreed_name='2-Ethyl-1,3-hexanediol'; object_uuid=fo-94e43c172c51cf45 |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhexane-1,3-diol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'94-96-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94e43c172c51cf45: {'94-96-2': '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 air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['94-96-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34273']; candidate_pubchem_cids=[7211, 194485, 6951322]; selected_pubchem_cids=[7211]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,756 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 12,757 | bootstrap_labels | name | 2-ethylhexane-1,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 21,464 | bootstrap_labels | synonyms | ["1,3-Hexanediol, 2-ethyl-","2-ETHYL-1,3-HEXANEDIOL","2-Ethyl-1,3-hexandiol","2-Ethyl-1,3-hexylene glycol","2-Ethyl-3-p… | [] | Removed legacy synonyms field in favor of structured labels |
| 190,172 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 190,173 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,559 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,295 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,296 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,297 | enrich_references | references | [] | [{"@id":"drugcentral:4774","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['94-96-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34273']; candidate_pubchem_cids=[7211, 194485, 6951322]; selected_pubchem_cids=[7211]; 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 |
| 256,134 | chebi_altlabels | altLabel | [] | [{"@value":"2-Ethyl-1,3-hexanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,800 | consensus_match | prefLabel | [{"@value":"2-ethylhexane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"2-Ethyl-1,3-hexanediol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | cas=94-96-2; cc_chebi_agreed_name='2-Ethyl-1,3-hexanediol'; object_uuid=fo-94e43c172c51cf45 |
| 260,801 | consensus_match | altLabel | [{"@value":"2-Ethyl-1,3-hexanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"ethohexadiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | cas=94-96-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-94e43c172c51cf45 |
| 260,802 | consensus_match | altLabel | [{"@value":"ethohexadiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"ethohexadiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | group_key=2-ethylhexane-1,3-diol||dimension=Environmental > media=Air > indoor=Unknown; cas=94-96-2; added Common Chemistry CAS names as altLabel: 1,3-Hexanediol, 2-ethyl-, 2-Ethyl-1,3-dihydroxyhexane, 2-Ethyl-1,3-hexylene glycol, 2-Ethyl-3-propyl-1,3-propanediol, 2-Ethylhexanediol, 3-Hydroxymethyl-<em>n</em>-heptan-4-ol, 6-12, Diol-Kyowa 8, NSC 3881, Repellent 612, Rutgers 612; object_uuid=fo-94e43c172c51cf45 |
| 260,803 | consensus_match | cas_match_labels | — | {"94-96-2":"exactMatch"} | group_key=2-ethylhexane-1,3-diol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'94-96-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94e43c172c51cf45: {'94-96-2': 'exactMatch'} |
| 276,989 | 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-Ethyl-1,3-hexanediol' |
| 283,641 | 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 'CCCC(O)C(CC)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,884 | strip_catalogue_altlabels | altLabel | [{"@value":"ethohexadiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"ethohexadiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Removed 3 catalogue altLabel value(s): 'NSC 3881' (registry code), 'Repellent 612' (trade name), 'Rutgers 612' (trade name) |
| 376,116 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/eab0715e-166c-… | associations resolved on the elementary layer |
| 391,343 | 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 |
| 399,333 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/12756 | prefLabel | ef:agent/bootstrap_labels | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v0 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v1 |
| ef:activity/change/20260821T1302361922970000/12757 | name | ef:agent/bootstrap_labels | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v1 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v2 |
| ef:activity/change/20260821T1302361922970000/21464 | synonyms | ef:agent/bootstrap_labels | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v2 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v3 |
| ef:activity/change/20260821T1302361922970000/190172 | context | ef:agent/default_context_mapping | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v3 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v4 |
| ef:activity/change/20260821T1302361922970000/190173 | context_iri | ef:agent/default_context_mapping | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v4 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v5 |
| ef:activity/change/20260821T1302361922970000/217559 | unit_iri | ef:agent/unit_normalization | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v5 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v6 |
| ef:activity/change/20260821T1302361922970000/239295 | properties | ef:agent/enrich_references | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v6 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v7 |
| ef:activity/change/20260821T1302361922970000/239296 | skos_definition | ef:agent/enrich_references | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v7 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v8 |
| ef:activity/change/20260821T1302361922970000/239297 | references | ef:agent/enrich_references | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v8 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v9 |
| ef:activity/change/20260821T1302361922970000/256134 | altLabel | ef:agent/chebi_altlabels | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v9 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v10 |
| ef:activity/change/20260821T1302361922970000/260800 | prefLabel | ef:agent/consensus_match | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v10 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v11 |
| ef:activity/change/20260821T1302361922970000/260801 | altLabel | ef:agent/consensus_match | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v11 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v12 |
| ef:activity/change/20260821T1302361922970000/260802 | altLabel | ef:agent/consensus_match | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v12 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v13 |
| ef:activity/change/20260821T1302361922970000/260803 | cas_match_labels | ef:agent/consensus_match | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v13 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v14 |
| ef:activity/change/20260821T1302361922970000/276989 | properties | ef:agent/opsin_iupac | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v14 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v15 |
| ef:activity/change/20260821T1302361922970000/283641 | properties | ef:agent/rdkit_post_consensus | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v15 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v16 |
| ef:activity/change/20260821T1302361922970000/289884 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v16 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v17 |
| ef:activity/change/20260821T1302361922970000/376116 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v17 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v18 |
| ef:activity/change/20260821T1302361922970000/391343 | properties | ef:agent/normalise_property_values | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v18 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v19 |
| ef:activity/change/20260821T1302361922970000/399333 | types | ef:agent/link_flows_to_their_substance | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v19 | ef:flow/eab0715e-166c-4569-96de-8370fd27b148/v20 |