Benzyl chloride
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9d87-0050c2490048
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8043' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=100-44-7; cc_chebi_agreed_name='Benzyl chloride'; object_uuid=fo-59e3cb57ba6c7022 |
| cas_match_labels | 1 | consensus_match | group_key=benzylchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-44-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-59e3cb57ba6c7022: {'100-44-7': '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 non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-44-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_615597']; candidate_pubchem_cids=[7503, 272643, 67397502]; selected_pubchem_cids=[7503]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 7,106 | bootstrap_labels | prefLabel | — | [{"@value":"benzylchloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 7,107 | bootstrap_labels | name | benzylchloride | — | Purged legacy name field to enforce prefLabel usage |
| 7,108 | bootstrap_labels | synonyms | ["(Chloromethyl)benzene","(Chloromethyl)polystyrene",".alpha.-Chlorotoluene",".alpha.-Chlortoluol",".omega.-Chlorotolue… | [] | Removed legacy synonyms field in favor of structured labels |
| 95,914 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 95,915 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,711 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,726 | normalize_name_case | prefLabel | [{"@value":"benzylchloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Benzylchloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,993 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,994 | enrich_references | skos_definition | — | [{"@value":"A member of the class of benzyl chlorides that is toluene substituted on the α-carbon with chlorine.","@lan… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,995 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.007J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['100-44-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_615597']; candidate_pubchem_cids=[7503, 272643, 67397502]; selected_pubchem_cids=[7503]; 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 |
| 250,281 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)CCl'; added: monoisotopic_mass |
| 255,277 | chebi_altlabels | altLabel | [] | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,214 | consensus_match | prefLabel | [{"@value":"Benzylchloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Benzyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=100-44-7; cc_chebi_agreed_name='Benzyl chloride'; object_uuid=fo-59e3cb57ba6c7022 |
| 264,215 | consensus_match | altLabel | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | cas=100-44-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-59e3cb57ba6c7022 |
| 264,216 | consensus_match | altLabel | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=benzylchloride||dimension=Environmental > media=Air > strata=Unknown; cas=100-44-7; added Common Chemistry CAS names as altLabel: 1-Chloromethylbenzene, Benzene, (chloromethyl)-, Bnol, Chlorophenylmethane, NSC 8043, Phenylmethyl chloride, Toluene, α-chloro-, Tolyl chloride, α-Chlorotoluene, ω-Chlorotoluene; object_uuid=fo-59e3cb57ba6c7022 |
| 264,217 | consensus_match | cas_match_labels | — | {"100-44-7":"exactMatch"} | group_key=benzylchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-44-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-59e3cb57ba6c7022: {'100-44-7': 'exactMatch'} |
| 275,428 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzyl chloride' |
| 281,944 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | rdkit_post_consensus from 'ClCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,708 | strip_catalogue_altlabels | altLabel | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"(chloromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 8043' (registry code) |
| 328,955 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 389,737 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7Cl"],"… | typed the way the ontology types it |
| 397,017 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260821T1554374006150000/7106 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/7107 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/7108 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/95914 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/95915 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/215711 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/222726 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/233993 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/233994 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/233995 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/250281 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/255277 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/264214 | prefLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/264215 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/264216 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/264217 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/275428 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/281944 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/288708 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/328955 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v20 |
| ef:activity/change/20260821T1554374006150000/389737 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v21 |
| ef:activity/change/20260821T1554374006150000/397017 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v21 | ef:flow/4d9a8790-3ddd-11dd-9d87-0050c2490048/v22 |