Bis(2-chloroethyl) Ether
Everything that changed this flow. Back to the flow
d355bc51-7e48-4574-8e2f-5f991c443af9
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 406647' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=bis(2-chloroethyl)ether||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-44-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-246364c9262c7491: {'111-44-4': '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=['111-44-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34573']; candidate_pubchem_cids=[8115, 190525, 13987514]; selected_pubchem_cids=[8115]; 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 |
|---|---|---|---|---|---|
| 5,725 | bootstrap_labels | prefLabel | — | [{"@value":"bis(2-chloroethyl) ether","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 5,726 | bootstrap_labels | name | bis(2-chloroethyl) ether | — | Purged legacy name field to enforce prefLabel usage |
| 5,727 | bootstrap_labels | synonyms | [".beta.,.beta.'-Dichlorodiethyl ether",".beta.,.beta.'-Dichloroethyl ether","1,1'-Oxybis(2-chloro)ethane","1,1'-Oxybis… | [] | Removed legacy synonyms field in favor of structured labels |
| 174,956 | 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 |
| 174,957 | 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 |
| 215,251 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,417 | normalize_name_case | prefLabel | [{"@value":"bis(2-chloroethyl) ether","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Bis(2-chloroethyl) Ether","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,690 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,691 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,692 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.455D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['111-44-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34573']; candidate_pubchem_cids=[8115, 190525, 13987514]; selected_pubchem_cids=[8115]; 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 |
| 255,099 | chebi_altlabels | altLabel | [] | [{"@value":"1,5-Dichloro-3-oxapentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,314 | consensus_match | altLabel | [{"@value":"1,5-Dichloro-3-oxapentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,5-Dichloro-3-oxapentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=bis(2-chloroethyl)ether||dimension=Environmental > media=Water > water_body=Unknown; cas=111-44-4; added Common Chemistry CAS names as altLabel: 1,1′-Oxybis[2-chloroethane], 1-Chloro-2-(2-chloroethoxy)ethane, 1-Chloro-2-(β-chloroethoxy)ethane, 2,2′-Dichlorethyl ether, 2,2′-Dichlorodiethyl ether, 2,2′-Dichloroethyl ether, 2-(2-Chloroethoxy)ethyl chloride, 2-Chloroethyl ether, <em>sym</em>-Dichloroethyl ether, BCEE, Bis(β-chloroethyl) ether, Chlorex, DCEE, Di(β-Chloroethyl) ether, Di-2-chloroethyl ether, Diethylene glycol dichloride, Ethane, 1,1′-oxybis[2-chloro-, Ether, bis(2-chloroethyl), Ether, bis(chloroethyl), NSC 406647, Oxygen mustard, β,β′-Dichlorodiethyl ether, β,β′-Dichloroethyl ether; object_uuid=fo-246364c9262c7491 |
| 264,315 | consensus_match | cas_match_labels | — | {"111-44-4":"exactMatch"} | group_key=bis(2-chloroethyl)ether||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-44-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-246364c9262c7491: {'111-44-4': 'exactMatch'} |
| 275,038 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(2-chloroethyl) Ether' |
| 281,529 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | rdkit_post_consensus from 'ClCCOCCCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,422 | strip_catalogue_altlabels | altLabel | [{"@value":"1,5-Dichloro-3-oxapentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,5-Dichloro-3-oxapentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 406647' (registry code) |
| 368,502 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d355bc51-7e48-… | associations resolved on the elementary layer |
| 389,347 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8Cl2O"]… | typed the way the ontology types it |
| 396,453 | 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/20260821T1554374006150000/5725 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v0 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v1 |
| ef:activity/change/20260821T1554374006150000/5726 | name | ef:agent/bootstrap_labels | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v1 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v2 |
| ef:activity/change/20260821T1554374006150000/5727 | synonyms | ef:agent/bootstrap_labels | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v2 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v3 |
| ef:activity/change/20260821T1554374006150000/174956 | context | ef:agent/default_context_mapping | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v3 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v4 |
| ef:activity/change/20260821T1554374006150000/174957 | context_iri | ef:agent/default_context_mapping | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v4 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v5 |
| ef:activity/change/20260821T1554374006150000/215251 | unit_iri | ef:agent/unit_normalization | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v5 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v6 |
| ef:activity/change/20260821T1554374006150000/222417 | prefLabel | ef:agent/normalize_name_case | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v6 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v7 |
| ef:activity/change/20260821T1554374006150000/232690 | properties | ef:agent/enrich_references | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v7 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v8 |
| ef:activity/change/20260821T1554374006150000/232691 | skos_definition | ef:agent/enrich_references | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v8 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v9 |
| ef:activity/change/20260821T1554374006150000/232692 | references | ef:agent/enrich_references | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v9 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v10 |
| ef:activity/change/20260821T1554374006150000/255099 | altLabel | ef:agent/chebi_altlabels | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v10 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v11 |
| ef:activity/change/20260821T1554374006150000/264314 | altLabel | ef:agent/consensus_match | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v11 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v12 |
| ef:activity/change/20260821T1554374006150000/264315 | cas_match_labels | ef:agent/consensus_match | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v12 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v13 |
| ef:activity/change/20260821T1554374006150000/275038 | properties | ef:agent/opsin_iupac | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v13 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v14 |
| ef:activity/change/20260821T1554374006150000/281529 | properties | ef:agent/rdkit_post_consensus | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v14 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v15 |
| ef:activity/change/20260821T1554374006150000/288422 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v15 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v16 |
| ef:activity/change/20260821T1554374006150000/368502 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v16 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v17 |
| ef:activity/change/20260821T1554374006150000/389347 | properties | ef:agent/normalise_property_values | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v17 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v18 |
| ef:activity/change/20260821T1554374006150000/396453 | types | ef:agent/link_flows_to_their_substance | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v18 | ef:flow/d355bc51-7e48-4574-8e2f-5f991c443af9/v19 |