3,5,5-Trimethyl-1-hexanol
Everything that changed this flow. Back to the flow
55e850ab-ecab-41f7-833a-a853dfec607f
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 | 3 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 83151' (registry code), 'NSC 97226' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=3452-97-9; cc_chebi_agreed_name='3,5,5-Trimethyl-1-hexanol'; object_uuid=fo-9c8b1e268945f730 |
| cas_match_labels | 1 | consensus_match | group_key=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3452-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9c8b1e268945f730: {'3452-97-9': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3452-97-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_178388']; candidate_pubchem_cids=[18938]; selected_pubchem_cids=[18938]; 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 |
|---|---|---|---|---|---|
| 4,586 | bootstrap_labels | prefLabel | — | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 4,587 | bootstrap_labels | name | 3,5,5-trimethylhexan-1-ol | — | Purged legacy name field to enforce prefLabel usage |
| 4,588 | bootstrap_labels | synonyms | ["1-Hexanol, 3,5,5-trimethyl-","3,5,5-TRIMETHYL-1-HEXANOL, TECH","3,5,5-Trimethyl-1-hexanol","3,5,5-Trimethylhexanol","… | [] | Removed legacy synonyms field in favor of structured labels |
| 100,870 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 100,871 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,871 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,587 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,588 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,589 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J142.877B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['3452-97-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_178388']; candidate_pubchem_cids=[18938]; selected_pubchem_cids=[18938]; 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 |
| 249,582 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | rdkit_pre_consensus from 'CC(CCO)CC(C)(C)C'; added: monoisotopic_mass |
| 261,564 | consensus_match | prefLabel | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"3,5,5-Trimethyl-1-hexanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | cas=3452-97-9; cc_chebi_agreed_name='3,5,5-Trimethyl-1-hexanol'; object_uuid=fo-9c8b1e268945f730 |
| 261,565 | consensus_match | altLabel | [] | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | cas=3452-97-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-9c8b1e268945f730 |
| 261,566 | consensus_match | altLabel | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=3452-97-9; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 3,5,5-Trimethylhexanol, 3,5,5-Trimethylhexyl alcohol, <em>i</em>-Nonyl alcohol, NSC 83151, NSC 97226, Nonylol; object_uuid=fo-9c8b1e268945f730 |
| 261,567 | consensus_match | cas_match_labels | — | {"3452-97-9":"exactMatch"} | group_key=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3452-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9c8b1e268945f730: {'3452-97-9': 'exactMatch'} |
| 274,715 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,5,5-Trimethyl-1-hexanol' |
| 281,178 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | rdkit_post_consensus from 'CC(CCO)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,191 | strip_catalogue_altlabels | altLabel | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"3,5,5-trimethylhexan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | Removed 2 catalogue altLabel value(s): 'NSC 83151' (registry code), 'NSC 97226' (registry code) |
| 331,432 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/55e850ab-ecab-… | associations resolved on the elementary layer |
| 389,022 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20O"],"… | typed the way the ontology types it |
| 396,000 | 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/20260821T1554374006150000/4586 | prefLabel | ef:agent/bootstrap_labels | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v0 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v1 |
| ef:activity/change/20260821T1554374006150000/4587 | name | ef:agent/bootstrap_labels | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v1 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v2 |
| ef:activity/change/20260821T1554374006150000/4588 | synonyms | ef:agent/bootstrap_labels | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v2 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v3 |
| ef:activity/change/20260821T1554374006150000/100870 | context | ef:agent/default_context_mapping | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v3 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v4 |
| ef:activity/change/20260821T1554374006150000/100871 | context_iri | ef:agent/default_context_mapping | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v4 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v5 |
| ef:activity/change/20260821T1554374006150000/214871 | unit_iri | ef:agent/unit_normalization | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v5 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v6 |
| ef:activity/change/20260821T1554374006150000/231587 | properties | ef:agent/enrich_references | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v6 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v7 |
| ef:activity/change/20260821T1554374006150000/231588 | skos_definition | ef:agent/enrich_references | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v7 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v8 |
| ef:activity/change/20260821T1554374006150000/231589 | references | ef:agent/enrich_references | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v8 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v9 |
| ef:activity/change/20260821T1554374006150000/249582 | properties | ef:agent/rdkit_pre_consensus | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v9 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v10 |
| ef:activity/change/20260821T1554374006150000/261564 | prefLabel | ef:agent/consensus_match | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v10 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v11 |
| ef:activity/change/20260821T1554374006150000/261565 | altLabel | ef:agent/consensus_match | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v11 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v12 |
| ef:activity/change/20260821T1554374006150000/261566 | altLabel | ef:agent/consensus_match | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v12 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v13 |
| ef:activity/change/20260821T1554374006150000/261567 | cas_match_labels | ef:agent/consensus_match | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v13 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v14 |
| ef:activity/change/20260821T1554374006150000/274715 | properties | ef:agent/opsin_iupac | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v14 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v15 |
| ef:activity/change/20260821T1554374006150000/281178 | properties | ef:agent/rdkit_post_consensus | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v15 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v16 |
| ef:activity/change/20260821T1554374006150000/288191 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v16 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v17 |
| ef:activity/change/20260821T1554374006150000/331432 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v17 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v18 |
| ef:activity/change/20260821T1554374006150000/389022 | properties | ef:agent/normalise_property_values | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v18 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v19 |
| ef:activity/change/20260821T1554374006150000/396000 | types | ef:agent/link_flows_to_their_substance | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v19 | ef:flow/55e850ab-ecab-41f7-833a-a853dfec607f/v20 |