Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride
Everything that changed this flow. Back to the flow
94bdbaf6-36e1-4bbb-b7db-e014523e7c49
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'BZ 80' (grade 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=benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azaniumchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'46830-22-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec1f8a43b4536556: {'46830-22-2': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['46830-22-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[162073, 217128]; selected_pubchem_cids=[162073]; 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 |
|---|---|---|---|---|---|
| 11,701 | bootstrap_labels | prefLabel | — | [{"@value":"benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 11,702 | bootstrap_labels | name | benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 11,703 | bootstrap_labels | synonyms | ["organic","benzyldimethyl[2-[(1-oxoallyl)oxy]ethyl]ammoniumchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 138,172 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 138,173 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,220 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,805 | normalize_name_case | prefLabel | [{"@value":"benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride","@language":"en","source":{"prov:wasGeneratedBy":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,320 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,321 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,322 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.150","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['46830-22-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[162073, 217128]; selected_pubchem_cids=[162073]; 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 |
| 251,518 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | rdkit_pre_consensus from 'C[N+](C)(CCOC(=O)C=C)CC1=CC=CC=C1.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 264,210 | consensus_match | altLabel | [] | [{"@value":"(2-Acryloxyethyl)dimethyl(benzyl)ammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azaniumchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=46830-22-2; added Common Chemistry CAS names as altLabel: (2-Acryloxyethyl)dimethyl(benzyl)ammonium chloride, 2-(Acryloyloxy)ethyldimethylbenzylammonium chloride, 2-Acryloyloxyethyl(benzyl)dimethylammonium chloride, <em>N</em>-(2-Acryloyloxyethyl)-<em>N</em>-benzyl-<em>N</em>,<em>N</em>-dimethylammonium chloride, Acryloxyethyldimethylbenzyl ammonium chloride, Acryloyloxyethylbenzyldimethylammonium chloride, Acryloyloxyethyldimethylbenzylammonium chloride, Adamquat BZ 80, BZ 80, Benzenemethanaminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl]-, chloride (1:1), Benzenemethanaminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-[2-[(1-oxo-2-propenyl)oxy]ethyl]-, chloride, Dimethylaminoethyl acrylate benzyl chloride quaternary salt, Flockstar PCB 23; object_uuid=fo-ec1f8a43b4536556 |
| 264,211 | consensus_match | cas_match_labels | — | {"46830-22-2":"exactMatch"} | group_key=benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azaniumchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'46830-22-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec1f8a43b4536556: {'46830-22-2': 'exactMatch'} |
| 276,702 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride' |
| 283,330 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | rdkit_post_consensus from 'C=CC(=O)OCC[N+](C)(C)Cc1ccccc1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,670 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Acryloxyethyl)dimethyl(benzyl)ammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"(2-Acryloxyethyl)dimethyl(benzyl)ammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"conse… | Removed 1 catalogue altLabel value(s): 'BZ 80' (grade code) |
| 350,087 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/94bdbaf6-36e1-… | associations resolved on the elementary layer |
| 391,057 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20ClNO… | typed the way the ontology types it |
| 398,927 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/11701 | prefLabel | ef:agent/bootstrap_labels | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v0 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v1 |
| ef:activity/change/20260821T1554374006150000/11702 | name | ef:agent/bootstrap_labels | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v1 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v2 |
| ef:activity/change/20260821T1554374006150000/11703 | synonyms | ef:agent/bootstrap_labels | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v2 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v3 |
| ef:activity/change/20260821T1554374006150000/138172 | context | ef:agent/default_context_mapping | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v3 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v4 |
| ef:activity/change/20260821T1554374006150000/138173 | context_iri | ef:agent/default_context_mapping | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v4 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v5 |
| ef:activity/change/20260821T1554374006150000/217220 | unit_iri | ef:agent/unit_normalization | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v5 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v6 |
| ef:activity/change/20260821T1554374006150000/223805 | prefLabel | ef:agent/normalize_name_case | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v6 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v7 |
| ef:activity/change/20260821T1554374006150000/238320 | properties | ef:agent/enrich_references | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v7 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v8 |
| ef:activity/change/20260821T1554374006150000/238321 | skos_definition | ef:agent/enrich_references | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v8 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v9 |
| ef:activity/change/20260821T1554374006150000/238322 | references | ef:agent/enrich_references | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v9 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v10 |
| ef:activity/change/20260821T1554374006150000/251518 | properties | ef:agent/rdkit_pre_consensus | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v10 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v11 |
| ef:activity/change/20260821T1554374006150000/264210 | altLabel | ef:agent/consensus_match | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v11 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v12 |
| ef:activity/change/20260821T1554374006150000/264211 | cas_match_labels | ef:agent/consensus_match | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v12 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v13 |
| ef:activity/change/20260821T1554374006150000/276702 | properties | ef:agent/opsin_iupac | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v13 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v14 |
| ef:activity/change/20260821T1554374006150000/283330 | properties | ef:agent/rdkit_post_consensus | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v14 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v15 |
| ef:activity/change/20260821T1554374006150000/289670 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v15 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v16 |
| ef:activity/change/20260821T1554374006150000/350087 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v16 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v17 |
| ef:activity/change/20260821T1554374006150000/391057 | properties | ef:agent/normalise_property_values | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v17 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v18 |
| ef:activity/change/20260821T1554374006150000/398927 | types | ef:agent/link_flows_to_their_substance | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v18 | ef:flow/94bdbaf6-36e1-4bbb-b7db-e014523e7c49/v19 |