2-ethyl-5,5-dimethyl-1,3-dioxane
Everything that changed this flow. Back to the flow
172ad9e7-6556-11dd-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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2-ethyl-5,5-dimethyl-1,3-dioxane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'768-58-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1032d0819add18a3: {'768-58-1': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 212-197-2 from CAS 768-58-1 |
| 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=['768-58-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[69852, 240953, 28875876]; selected_pubchem_cids=[69852]; 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 |
|---|---|---|---|---|---|
| 8,257 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethyl-5,5-dimethyl-1,3-dioxane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 8,258 | bootstrap_labels | name | 2-ethyl-5,5-dimethyl-1,3-dioxane | — | Purged legacy name field to enforce prefLabel usage |
| 8,259 | bootstrap_labels | synonyms | ["AC1L2CT5","AC1Q2UDU","AC1Q705O","AKOS005137991","I14-14923","SBB062857","TX-010137"] | [] | Removed legacy synonyms field in favor of structured labels |
| 51,722 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 51,723 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 216,088 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,887 | ec_cross_check | ec_numbers | [] | ["212-197-2"] | Resolved from EC-inventory: 212-197-2 from CAS 768-58-1 |
| 235,068 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 235,069 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,070 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J193.146F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['768-58-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[69852, 240953, 28875876]; selected_pubchem_cids=[69852]; 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 |
| 250,580 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_pre_consensus from 'CCC1OCC(CO1)(C)C'; added: molecular_mass, monoisotopic_mass |
| 260,776 | consensus_match | altLabel | [] | [{"@value":"1,3-Dioxane, 2-ethyl-5,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=2-ethyl-5,5-dimethyl-1,3-dioxane||dimension=Environmental > media=Air > strata=Unknown; cas=768-58-1; added Common Chemistry CAS names as altLabel: 1,3-Dioxane, 2-ethyl-5,5-dimethyl-, 5,5-Dimethyl-2-ethyl-1,3-dioxane, <em>m</em>-Dioxane, 2-ethyl-5,5-dimethyl-; object_uuid=fo-1032d0819add18a3 |
| 260,777 | consensus_match | cas_match_labels | — | {"768-58-1":"exactMatch"} | group_key=2-ethyl-5,5-dimethyl-1,3-dioxane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'768-58-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1032d0819add18a3: {'768-58-1': 'exactMatch'} |
| 275,745 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethyl-5,5-dimethyl-1,3-dioxane' |
| 282,301 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CCC1OCC(C)(C)CO1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,390 | dedupe_altlabels | altLabel | [{"@value":"1,3-Dioxane, 2-ethyl-5,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"1,3-Dioxane, 2-ethyl-5,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Deduplicated altLabel values and removed entries matching prefLabel |
| 306,888 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e7-6556-… | associations resolved on the elementary layer |
| 390,086 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | typed the way the ontology types it |
| 397,551 | 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/20260821T1554374006150000/8257 | prefLabel | ef:agent/bootstrap_labels | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T1554374006150000/8258 | name | ef:agent/bootstrap_labels | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T1554374006150000/8259 | synonyms | ef:agent/bootstrap_labels | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T1554374006150000/51722 | context | ef:agent/default_context_mapping | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T1554374006150000/51723 | context_iri | ef:agent/default_context_mapping | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T1554374006150000/216088 | unit_iri | ef:agent/unit_normalization | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T1554374006150000/226887 | ec_numbers | ef:agent/ec_cross_check | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T1554374006150000/235068 | properties | ef:agent/enrich_references | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T1554374006150000/235069 | skos_definition | ef:agent/enrich_references | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T1554374006150000/235070 | references | ef:agent/enrich_references | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T1554374006150000/250580 | properties | ef:agent/rdkit_pre_consensus | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T1554374006150000/260776 | altLabel | ef:agent/consensus_match | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T1554374006150000/260777 | cas_match_labels | ef:agent/consensus_match | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T1554374006150000/275745 | properties | ef:agent/opsin_iupac | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T1554374006150000/282301 | properties | ef:agent/rdkit_post_consensus | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T1554374006150000/292390 | altLabel | ef:agent/dedupe_altlabels | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T1554374006150000/306888 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T1554374006150000/390086 | properties | ef:agent/normalise_property_values | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260821T1554374006150000/397551 | types | ef:agent/link_flows_to_their_substance | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/172ad9e7-6556-11dd-ad8b-0800200c9a66/v19 |