Dodecyltrimethylammonium Chloride
Everything that changed this flow. Back to the flow
429f776d-6ec7-4486-a2a8-a85999d0d158
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 8 catalogue altLabel value(s): 'Adogen 412' (trade name), 'CA 2150' (grade code), 'Cationic 1231' (trade name), 'Cationic Surfactant 1231' (trade name), 'Emal 60W' (grade code), 'Germicide 1231' (trade name), 'I 0453' (grade code), 'Radiaquat 6465' (trade name) |
| 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=dodecyltrimethylammoniumchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-00-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-81e98208e9f3b6a1: {'112-00-5': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['112-00-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[8152, 547081, 21750138]; selected_pubchem_cids=[8152, 21750138]; 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 |
|---|---|---|---|---|---|
| 233 | bootstrap_labels | prefLabel | — | [{"@value":"dodecyltrimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 234 | bootstrap_labels | name | dodecyltrimethylammonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 235 | bootstrap_labels | synonyms | ["1-Dodecanaminium, N,N,N-trimethyl-, chloride","1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)","AC1L1QDT","AC1Q1R… | [] | Removed legacy synonyms field in favor of structured labels |
| 81,036 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 81,037 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 213,410 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,139 | normalize_name_case | prefLabel | [{"@value":"dodecyltrimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Dodecyltrimethylammonium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,383 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 227,384 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,385 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.003.570","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['112-00-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[8152, 547081, 21750138]; selected_pubchem_cids=[8152, 21750138]; 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 |
| 248,368 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | rdkit_pre_consensus from 'CCCCCCCCCCCC[N+](C)(C)C.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 266,646 | consensus_match | altLabel | [] | [{"@value":"1-Dodecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride","@language":"en","source":{"prov:w… | group_key=dodecyltrimethylammoniumchloride||dimension=Environmental > media=Air > strata=Unknown; cas=112-00-5; added Common Chemistry CAS names as altLabel: 1-Dodecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride, 1-Dodecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-1-dodecanaminium chloride, <em>N</em>-Dodecyl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, <em>N</em>-Lauryl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, <em>N</em>-Lauryltrimethylammonium chloride, <em>n</em>-Dodecyltrimethylammonium chloride, Adogen 412, Alicop, Aliquat 4, Ammonium, dodecyltrimethyl-, chloride, Arquad 12, Arquad 12-23, Arquad 12-25, Arquad 12-33, Arquad 12-37W, Arquad 12-50, Arquad 12D, C12TAC, CA 2150, Catinal LTC 35A, Catiogen L, Catiogen TML, Cation BB, Cation FB, Cationic 1231, Cationic Surfactant 1231, Cortamine 24P, DTAC, Dehyquart LT, E 010077, Emal 60W, Fentacare 1231-37, Fentacare 1231-37K, Germicide 1231, I 0453, Laurtrimonium chloride, Lauryltrimethylammonium chloride, Lauryltrimonium chloride, Lipoquad 12-37W, Lipoquad C 12-37W, Monolauryltrimethylammonium chloride, Nissan Cation BB, Nissan Cation BB 300, Nissan Cation FB, Pionin B 111, Quartamin 20W, Quartamin 24, Quartamin 24P, Quartamin 24W, Radiaquat 6465, Redicote E 5, Rewoquat B 18, Rhodaquat M 242C29, Swanol CA 2150, Trimethyldodecylammonium chloride, Trimethyllaurylammonium chloride; object_uuid=fo-81e98208e9f3b6a1 |
| 266,647 | consensus_match | cas_match_labels | — | {"112-00-5":"exactMatch"} | group_key=dodecyltrimethylammoniumchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-00-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-81e98208e9f3b6a1: {'112-00-5': 'exactMatch'} |
| 273,493 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dodecyltrimethylammonium Chloride' |
| 279,847 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | rdkit_post_consensus from 'CCCCCCCCCCCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,289 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Dodecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride","@language":"en","source":{"prov:w… | [{"@value":"1-Dodecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | Removed 8 catalogue altLabel value(s): 'Adogen 412' (trade name), 'CA 2150' (grade code), 'Cationic 1231' (trade name), 'Cationic Surfactant 1231' (trade name), 'Emal 60W' (grade code), 'Germicide 1231' (trade name), 'I 0453' (grade code), 'Radiaquat 6465' (trade name) |
| 321,524 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/429f776d-6ec7-… | associations resolved on the elementary layer |
| 387,767 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H34ClN"… | typed the way the ontology types it |
| 394,243 | 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/20260820T1812399309960000/233 | prefLabel | ef:agent/bootstrap_labels | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v0 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v1 |
| ef:activity/change/20260820T1812399309960000/234 | name | ef:agent/bootstrap_labels | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v1 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v2 |
| ef:activity/change/20260820T1812399309960000/235 | synonyms | ef:agent/bootstrap_labels | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v2 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v3 |
| ef:activity/change/20260820T1812399309960000/81036 | context | ef:agent/default_context_mapping | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v3 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v4 |
| ef:activity/change/20260820T1812399309960000/81037 | context_iri | ef:agent/default_context_mapping | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v4 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v5 |
| ef:activity/change/20260820T1812399309960000/213410 | unit_iri | ef:agent/unit_normalization | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v5 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v6 |
| ef:activity/change/20260820T1812399309960000/221139 | prefLabel | ef:agent/normalize_name_case | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v6 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v7 |
| ef:activity/change/20260820T1812399309960000/227383 | properties | ef:agent/enrich_references | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v7 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v8 |
| ef:activity/change/20260820T1812399309960000/227384 | skos_definition | ef:agent/enrich_references | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v8 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v9 |
| ef:activity/change/20260820T1812399309960000/227385 | references | ef:agent/enrich_references | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v9 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v10 |
| ef:activity/change/20260820T1812399309960000/248368 | properties | ef:agent/rdkit_pre_consensus | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v10 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v11 |
| ef:activity/change/20260820T1812399309960000/266646 | altLabel | ef:agent/consensus_match | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v11 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v12 |
| ef:activity/change/20260820T1812399309960000/266647 | cas_match_labels | ef:agent/consensus_match | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v12 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v13 |
| ef:activity/change/20260820T1812399309960000/273493 | properties | ef:agent/opsin_iupac | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v13 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v14 |
| ef:activity/change/20260820T1812399309960000/279847 | properties | ef:agent/rdkit_post_consensus | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v14 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v15 |
| ef:activity/change/20260820T1812399309960000/287289 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v15 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v16 |
| ef:activity/change/20260820T1812399309960000/321524 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v16 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v17 |
| ef:activity/change/20260820T1812399309960000/387767 | properties | ef:agent/normalise_property_values | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v17 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v18 |
| ef:activity/change/20260820T1812399309960000/394243 | types | ef:agent/link_flows_to_their_substance | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v18 | ef:flow/429f776d-6ec7-4486-a2a8-a85999d0d158/v19 |