Trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium Chloride
Everything that changed this flow. Back to the flow
41d44bd9-f633-4a96-b84f-63c75869ceb6
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 9 catalogue altLabel value(s): 'Atlox Rheostrux 300A' (trade name), 'DMC 80' (grade code), 'DQ 100' (grade code), 'DQ 75' (grade code), 'FD 963' (grade code), 'M 50420' (grade code), 'Pleximon 735' (trade name), 'Pleximon 760' (trade name), 'SMC 80H' (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=trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azaniumchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'5039-78-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9cbc24e5ade40e07: {'5039-78-1': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5039-78-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[78738, 22558274]; selected_pubchem_cids=[78738]; 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 |
|---|---|---|---|---|---|
| 10,883 | bootstrap_labels | prefLabel | — | [{"@value":"trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium chloride","@language":"en","source":{"prov:wasGenera… | Bootstrapped prefLabel from legacy name field |
| 10,884 | bootstrap_labels | name | trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 10,885 | bootstrap_labels | synonyms | ["organic","[2-(methacryloyloxy)ethyl]trimethylammoniumchloride","2-trimethylammoniumethylmethacrylatechloride","acryes… | [] | Removed legacy synonyms field in favor of structured labels |
| 80,562 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 80,563 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 216,948 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,634 | normalize_name_case | prefLabel | [{"@value":"trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium chloride","@language":"en","source":{"prov:wasGenera… | [{"@value":"Trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium Chloride","@language":"en","source":{"prov:wasGenera… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,535 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,536 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,537 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.023.394","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['5039-78-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[78738, 22558274]; selected_pubchem_cids=[78738]; 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 |
| 251,287 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | rdkit_pre_consensus from 'CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 272,993 | consensus_match | altLabel | [] | [{"@value":"2-(Methacroyloxy)ethyl trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azaniumchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=5039-78-1; added Common Chemistry CAS names as altLabel: 2-(Methacroyloxy)ethyl trimethylammonium chloride, 2-(Methacryloyloxy)-<em>N</em>,<em>N</em>,<em>N</em>-trimethylethanaminium chloride, 2-Dimethylaminoethyl methacrylate methyl chloride salt, 2-Methacryloxyethyltrimethylammonium chloride, 2-Methacryloxyethyltrimethylammonuim chloride, 2-Methyacryloxyethyltrimethylammonium chloride, 2-Trimethylammonioethyl methacrylate chloride, 2-Trimethylammoniumethyl methacrylate chloride, <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-2-(methacryloyloxy)ethylammonium chloride, <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-<em>N</em>-(2-methacryloxyethyl)ammonium chloride, <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-<em>N</em>-(2-methacryloyloxyethyl)ammonium chloride, Acryester DMC, Acryester DMC 78, Acryester DMC 80, Ageflex FM 1Q75MC, Ageflex FM 1Q80MC, Atlox Rheostrux 300A, Atlox Rheostrux 300A-LQ, Choline, chloride methacrylate, DMC 80, DMCMA, DQ 100, DQ 75, Dimethylaminoethyl methacrylate methochloride, Dimethylaminoethyl methacrylate methyl chloride, Ethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride (1:1), Ethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride, FD 963, Light Ester DQ 100, Light Ester DQ 75, M 50420, M-Quat, Madquat MC 75, Methacroylcholine chloride, Methacrylatoethyl trimethyl ammonium chloride, Methacryloylcholine chloride, Methacryloylethyltrimethylammonium chloride, Mhoromer BM 606, Pleximon 735, Pleximon 760, QDM, QDM (quaternary compound), SMC 80H, Sipomer Q 6-75, TMAE-MC 80, TMAMA, Trimethylammonioethyl methacrylate chloride, [(Methacryloyloxy)ethyl]trimethylammonium chloride, [2-(Methacryloyloxy)ethyl]trimethylammonium chloride; object_uuid=fo-9cbc24e5ade40e07 |
| 272,994 | consensus_match | cas_match_labels | — | {"5039-78-1":"exactMatch"} | group_key=trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azaniumchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'5039-78-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9cbc24e5ade40e07: {'5039-78-1': 'exactMatch'} |
| 276,472 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium Chloride' |
| 283,080 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | rdkit_post_consensus from 'C=C(C)C(=O)OCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,516 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(Methacroyloxy)ethyl trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"2-(Methacroyloxy)ethyl trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consen… | Removed 9 catalogue altLabel value(s): 'Atlox Rheostrux 300A' (trade name), 'DMC 80' (grade code), 'DQ 100' (grade code), 'DQ 75' (grade code), 'FD 963' (grade code), 'M 50420' (grade code), 'Pleximon 735' (trade name), 'Pleximon 760' (trade name), 'SMC 80H' (grade code) |
| 321,294 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/41d44bd9-f633-… | associations resolved on the elementary layer |
| 390,828 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18ClNO2… | typed the way the ontology types it |
| 398,613 | 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/20260821T1554374006150000/10883 | prefLabel | ef:agent/bootstrap_labels | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v0 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v1 |
| ef:activity/change/20260821T1554374006150000/10884 | name | ef:agent/bootstrap_labels | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v1 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v2 |
| ef:activity/change/20260821T1554374006150000/10885 | synonyms | ef:agent/bootstrap_labels | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v2 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v3 |
| ef:activity/change/20260821T1554374006150000/80562 | context | ef:agent/default_context_mapping | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v3 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v4 |
| ef:activity/change/20260821T1554374006150000/80563 | context_iri | ef:agent/default_context_mapping | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v4 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v5 |
| ef:activity/change/20260821T1554374006150000/216948 | unit_iri | ef:agent/unit_normalization | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v5 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v6 |
| ef:activity/change/20260821T1554374006150000/223634 | prefLabel | ef:agent/normalize_name_case | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v6 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v7 |
| ef:activity/change/20260821T1554374006150000/237535 | properties | ef:agent/enrich_references | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v7 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v8 |
| ef:activity/change/20260821T1554374006150000/237536 | skos_definition | ef:agent/enrich_references | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v8 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v9 |
| ef:activity/change/20260821T1554374006150000/237537 | references | ef:agent/enrich_references | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v9 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v10 |
| ef:activity/change/20260821T1554374006150000/251287 | properties | ef:agent/rdkit_pre_consensus | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v10 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v11 |
| ef:activity/change/20260821T1554374006150000/272993 | altLabel | ef:agent/consensus_match | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v11 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v12 |
| ef:activity/change/20260821T1554374006150000/272994 | cas_match_labels | ef:agent/consensus_match | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v12 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v13 |
| ef:activity/change/20260821T1554374006150000/276472 | properties | ef:agent/opsin_iupac | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v13 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v14 |
| ef:activity/change/20260821T1554374006150000/283080 | properties | ef:agent/rdkit_post_consensus | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v14 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v15 |
| ef:activity/change/20260821T1554374006150000/289516 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v15 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v16 |
| ef:activity/change/20260821T1554374006150000/321294 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v16 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v17 |
| ef:activity/change/20260821T1554374006150000/390828 | properties | ef:agent/normalise_property_values | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v17 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v18 |
| ef:activity/change/20260821T1554374006150000/398613 | types | ef:agent/link_flows_to_their_substance | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v18 | ef:flow/41d44bd9-f633-4a96-b84f-63c75869ceb6/v19 |