3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
Everything that changed this flow. Back to the flow
79440ff3-6354-4039-853b-8e5e9d81e6b2
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): 'FEMA 3784' (grade code), 'TK 10' (grade code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=87061-04-9; cc_chebi_agreed_name='3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol'; object_uuid=fo-ad75f147419f6fdb |
| cas_match_labels | 1 | consensus_match | group_key=3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'87061-04-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ad75f147419f6fdb: {'87061-04-9': '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=['87061-04-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_180392']; candidate_pubchem_cids=[5362595, 6850757, 21159694]; selected_pubchem_cids=[5362595]; 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 |
|---|---|---|---|---|---|
| 12,426 | bootstrap_labels | prefLabel | — | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 12,427 | bootstrap_labels | name | 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol | — | Purged legacy name field to enforce prefLabel usage |
| 12,428 | bootstrap_labels | synonyms | ["organic","3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol","coolact10"] | [] | Removed legacy synonyms field in favor of structured labels |
| 121,900 | 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 |
| 121,901 | 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 |
| 217,451 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,984 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,985 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,986 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.959E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['87061-04-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_180392']; candidate_pubchem_cids=[5362595, 6850757, 21159694]; selected_pubchem_cids=[5362595]; 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 |
| 251,710 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | rdkit_pre_consensus from 'CC1CCC(C(C)C)C(OCC(O)CO)C1'; added: monoisotopic_mass |
| 261,767 | consensus_match | prefLabel | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol","@language":"en","source":{"prov:wasGenerate… | cas=87061-04-9; cc_chebi_agreed_name='3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol'; object_uuid=fo-ad75f147419f6fdb |
| 261,768 | consensus_match | altLabel | [] | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | cas=87061-04-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-ad75f147419f6fdb |
| 261,769 | consensus_match | altLabel | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | group_key=3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=87061-04-9; added Common Chemistry CAS names as altLabel: 1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, 3-((2-Isopropyl-5-methylcyclohexyl)oxy)propane-1,2-diol, 3-[[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy]propane-1,2-diol, FEMA 3784, TK 10; object_uuid=fo-ad75f147419f6fdb |
| 261,770 | consensus_match | cas_match_labels | — | {"87061-04-9":"exactMatch"} | group_key=3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'87061-04-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ad75f147419f6fdb: {'87061-04-9': 'exactMatch'} |
| 276,895 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol' |
| 283,542 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | rdkit_post_consensus from 'CC1CCC(C(C)C)C(OCC(O)CO)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,816 | strip_catalogue_altlabels | altLabel | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"… | Removed 2 catalogue altLabel value(s): 'FEMA 3784' (grade code), 'TK 10' (grade code) |
| 341,948 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/79440ff3-6354-… | associations resolved on the elementary layer |
| 391,252 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | typed the way the ontology types it |
| 399,201 | 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/20260821T1302361922970000/12426 | prefLabel | ef:agent/bootstrap_labels | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v0 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v1 |
| ef:activity/change/20260821T1302361922970000/12427 | name | ef:agent/bootstrap_labels | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v1 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v2 |
| ef:activity/change/20260821T1302361922970000/12428 | synonyms | ef:agent/bootstrap_labels | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v2 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v3 |
| ef:activity/change/20260821T1302361922970000/121900 | context | ef:agent/default_context_mapping | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v3 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v4 |
| ef:activity/change/20260821T1302361922970000/121901 | context_iri | ef:agent/default_context_mapping | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v4 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v5 |
| ef:activity/change/20260821T1302361922970000/217451 | unit_iri | ef:agent/unit_normalization | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v5 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v6 |
| ef:activity/change/20260821T1302361922970000/238984 | properties | ef:agent/enrich_references | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v6 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v7 |
| ef:activity/change/20260821T1302361922970000/238985 | skos_definition | ef:agent/enrich_references | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v7 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v8 |
| ef:activity/change/20260821T1302361922970000/238986 | references | ef:agent/enrich_references | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v8 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v9 |
| ef:activity/change/20260821T1302361922970000/251710 | properties | ef:agent/rdkit_pre_consensus | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v9 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v10 |
| ef:activity/change/20260821T1302361922970000/261767 | prefLabel | ef:agent/consensus_match | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v10 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v11 |
| ef:activity/change/20260821T1302361922970000/261768 | altLabel | ef:agent/consensus_match | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v11 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v12 |
| ef:activity/change/20260821T1302361922970000/261769 | altLabel | ef:agent/consensus_match | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v12 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v13 |
| ef:activity/change/20260821T1302361922970000/261770 | cas_match_labels | ef:agent/consensus_match | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v13 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v14 |
| ef:activity/change/20260821T1302361922970000/276895 | properties | ef:agent/opsin_iupac | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v14 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v15 |
| ef:activity/change/20260821T1302361922970000/283542 | properties | ef:agent/rdkit_post_consensus | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v15 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v16 |
| ef:activity/change/20260821T1302361922970000/289816 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v16 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v17 |
| ef:activity/change/20260821T1302361922970000/341948 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v17 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v18 |
| ef:activity/change/20260821T1302361922970000/391252 | properties | ef:agent/normalise_property_values | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v18 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v19 |
| ef:activity/change/20260821T1302361922970000/399201 | types | ef:agent/link_flows_to_their_substance | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v19 | ef:flow/79440ff3-6354-4039-853b-8e5e9d81e6b2/v20 |