Dimethyldioctadecylammonium Chloride
Everything that changed this flow. Back to the flow
d38c6e6f-899e-45ce-9b16-d0ad721cc7a5
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 10 catalogue altLabel value(s): 'Aliquat 207' (trade name), 'Ammoeng 130' (trade name), 'CA 3475' (grade code), 'D 1821' (grade code), 'D 86P' (grade code), 'Fentacare 1821' (trade name), 'KD 83' (grade code), 'Sokalan 9200' (trade name), 'TA 101' (grade code), 'Varisoft 100' (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=dimethyldioctadecylammoniumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'107-64-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31546442f9a6e25d: {'107-64-2': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['107-64-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[7879, 10684, 13717480, 17843648]; selected_pubchem_cids=[7879, 17843648]; 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 |
|---|---|---|---|---|---|
| 22,848 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyldioctadecylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 22,849 | bootstrap_labels | name | dimethyldioctadecylammonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 23,119 | bootstrap_labels | synonyms | ["1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride","1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:… | [] | Removed legacy synonyms field in favor of structured labels |
| 175,082 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 175,083 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 220,576 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,221 | normalize_name_case | prefLabel | [{"@value":"dimethyldioctadecylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Dimethyldioctadecylammonium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,725 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 247,726 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,727 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.003.190","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['107-64-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[7879, 10684, 13717480, 17843648]; selected_pubchem_cids=[7879, 17843648]; 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 |
| 254,244 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 266,142 | consensus_match | altLabel | [] | [{"@value":"1-Octadecanaminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-octadecyl-, chloride","@language":"en","sourc… | group_key=dimethyldioctadecylammoniumchloride||dimension=Environmental > media=Air > indoor=Unknown; cas=107-64-2; added Common Chemistry CAS names as altLabel: 1-Octadecanaminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-octadecyl-, chloride, 1-Octadecanaminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-octadecyl-, chloride (1:1), <em>N</em>,<em>N</em>-Dioctadecyl-<em>N</em>,<em>N</em>-dimethylammonium chloride, Adogen TA 100, Aerosurf TA 101, Aliquat 207, Alkylquat AQ 2, Ammoeng 130, Ammonium, dimethyldioctadecyl-, chloride, Ammonyx 2200P100, Arosurf TA 100, Arosurf TA 101, Arquad 218-100, Arquad 218-100P, Arquad 218P75E, Arquad 2HP, Arquad 2HP-75, Arquad R 40, CA 3475, Cation DS, Cation DSV, Cationic surfactant 1821, Cedequat TD 75, D 1821, D 86P, DHAC, DODA(Cl), DODAC, Dehyquart DAM, Di-<em>n</em>-octadecyldimethylammonium chloride, Dimethyldioctadecanylammonium chloride, Dimethyldistearylammonium chloride, Dioctadecyldimethylammonium chloride, Distearic dimethyl ammonium chloride, Distearyldimethylammonium chloride, Distearyldimonium chloride, Fentacare 1821, Genamin DSAC, Genamin DSAC 20, Genamin DSAC 75, Genamin DSAP, HYQMD 1821C, KD 83, Kemamine Q 9702CLP, Lipoquad 2HP75, Nikkol CA 3475V, Pionin B 8811, Preapagem WB, Quartamin D 85P, Quartamin D 86, Quartamin D 86P, Quartamin DM 86P, Quaternium 5, Sokalan 9200, Surfroyal DSAC, Swanol CA 3475, TA 101, Talofloc, Varisoft 100, Varisoft TA 100; object_uuid=fo-31546442f9a6e25d |
| 266,143 | consensus_match | cas_match_labels | — | {"107-64-2":"exactMatch"} | group_key=dimethyldioctadecylammoniumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'107-64-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31546442f9a6e25d: {'107-64-2': 'exactMatch'} |
| 279,473 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyldioctadecylammonium Chloride' |
| 286,349 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,692 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Octadecanaminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-octadecyl-, chloride","@language":"en","sourc… | [{"@value":"1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"… | Removed 10 catalogue altLabel value(s): 'Aliquat 207' (trade name), 'Ammoeng 130' (trade name), 'CA 3475' (grade code), 'D 1821' (grade code), 'D 86P' (grade code), 'Fentacare 1821' (trade name), 'KD 83' (grade code), 'Sokalan 9200' (trade name), 'TA 101' (grade code), 'Varisoft 100' (trade name) |
| 368,565 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d38c6e6f-899e-… | associations resolved on the elementary layer |
| 393,866 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H80ClN"… | typed the way the ontology types it |
| 403,071 | 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/20260822T0600486828500000/22848 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v0 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v1 |
| ef:activity/change/20260822T0600486828500000/22849 | name | ef:agent/bootstrap_labels | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v1 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v2 |
| ef:activity/change/20260822T0600486828500000/23119 | synonyms | ef:agent/bootstrap_labels | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v2 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v3 |
| ef:activity/change/20260822T0600486828500000/175082 | context | ef:agent/default_context_mapping | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v3 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v4 |
| ef:activity/change/20260822T0600486828500000/175083 | context_iri | ef:agent/default_context_mapping | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v4 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v5 |
| ef:activity/change/20260822T0600486828500000/220576 | unit_iri | ef:agent/unit_normalization | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v5 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v6 |
| ef:activity/change/20260822T0600486828500000/226221 | prefLabel | ef:agent/normalize_name_case | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v6 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v7 |
| ef:activity/change/20260822T0600486828500000/247725 | properties | ef:agent/enrich_references | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v7 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v8 |
| ef:activity/change/20260822T0600486828500000/247726 | skos_definition | ef:agent/enrich_references | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v8 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v9 |
| ef:activity/change/20260822T0600486828500000/247727 | references | ef:agent/enrich_references | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v9 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v10 |
| ef:activity/change/20260822T0600486828500000/254244 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v10 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v11 |
| ef:activity/change/20260822T0600486828500000/266142 | altLabel | ef:agent/consensus_match | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v11 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v12 |
| ef:activity/change/20260822T0600486828500000/266143 | cas_match_labels | ef:agent/consensus_match | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v12 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v13 |
| ef:activity/change/20260822T0600486828500000/279473 | properties | ef:agent/opsin_iupac | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v13 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v14 |
| ef:activity/change/20260822T0600486828500000/286349 | properties | ef:agent/rdkit_post_consensus | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v14 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v15 |
| ef:activity/change/20260822T0600486828500000/291692 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v15 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v16 |
| ef:activity/change/20260822T0600486828500000/368565 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v16 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v17 |
| ef:activity/change/20260822T0600486828500000/393866 | properties | ef:agent/normalise_property_values | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v17 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v18 |
| ef:activity/change/20260822T0600486828500000/403071 | types | ef:agent/link_flows_to_their_substance | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v18 | ef:flow/d38c6e6f-899e-45ce-9b16-d0ad721cc7a5/v19 |