Calcium Dodecylbenzenesulphonate
Everything that changed this flow. Back to the flow
06f17234-779b-434c-af21-bf4bc385b89b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 8 catalogue altLabel value(s): 'Atlox 4838B' (trade name), 'BC 2070M' (grade code), 'Calsogen 4814' (trade name), 'Emulsifier 1371A' (trade name), 'Ninate 401' (trade name), 'Ninate 401A' (trade name), 'Tanemul 1371A' (trade name), 'Trisol 460' (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=calciumdodecylbenzenesulphonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'26264-06-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d589efcafd80d13b: {'26264-06-2': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['26264-06-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[170775, 13651206, 57345970, 156614057]; selected_pubchem_cids=[57345970, 156614057]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,644 | bootstrap_labels | prefLabel | — | [{"@value":"calcium dodecylbenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 5,645 | bootstrap_labels | name | calcium dodecylbenzenesulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 5,646 | bootstrap_labels | synonyms | ["Benzenesulfonic acid, dodecyl-, calcium salt"] | [] | Removed legacy synonyms field in favor of structured labels |
| 30,876 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 30,877 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,224 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,400 | normalize_name_case | prefLabel | [{"@value":"calcium dodecylbenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"Calcium Dodecylbenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,610 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 232,611 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,612 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.043.219","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['26264-06-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[170775, 13651206, 57345970, 156614057]; selected_pubchem_cids=[57345970, 156614057]; 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 |
| 249,877 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | rdkit_pre_consensus from 'CCCCCCCCCCCC.CCCCCCCCCCCC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]'; added: molecular_mass, monoisotopic_mass |
| 264,810 | consensus_match | altLabel | [] | [{"@value":"1371A","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | group_key=calciumdodecylbenzenesulphonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=26264-06-2; added Common Chemistry CAS names as altLabel: 1371A, 14179TX, AASCA 60, Agnique ABS 60 C-EH, Agnique ABS 60C, Agnique ABS 60CB, Agnique ABS 60CH, Agnique ABS 65C, Agnique ABS 65C4, Agnique ABS 70C, Agnique ABS 70CB, Alkanate CS, Alkasurf CA, Atlox 4838B, BC 2070M, Benzenesulfonic acid, dodecyl-, calcium salt, Benzenesulfonic acid, dodecyl-, calcium salt (2:1), CaDDBS, Calcium <em>n</em>-dodecylbenzenesulfonate, Calcium dodecylbenzene sulfonate, Calcium dodecylbenzenesulfonate, Calcium dodecylphenylsulfonate, Calsogen 4814, Calsogen AR 100, Calsogen ARL 100ND, Calsogen Cal 62, Casul 70HF, Dodecylbenzene calcium sulfonate, Dodecylbenzenesulfonic acid calcium salt, Emcol P 1860, Emulsifier 1371A, Geronol FE 4E, Hymal PS 90A, Kemmat HF 60, Nansa EVM 40/2NDL, Nansa EVM 62H, Nansa EVM 70/2E, Nansa EVM 70B, Nansa EVM 70I, Neopelex C 70, Newkalgen AD 85C, Ninate 401, Ninate 401A, Ninate 60E, Ninate 60L, Ninate 70B, Phenylsulfonat CAL, Pionin A 41C, Rhodacal 60/BE-A, Rhodacal 60B, Rhodacal 60BE, Rhodacal 60BE-C, Rhodacal 60BHT, Rhodacal 6O/BE, Rhodacal 70, Rhodacal 70B, Rhodacal 70B-C, Rhodacal CA, Salca BX, Sinnozon NCX 70, Soprofor S 70, Soprophor 60B, Soprophor 70, Tanemul 1371A, Taycapower BC 2070M, Taycapower BC 2070M-A, Trisol 460, Unicabs, Wettol EM 1, Witconate 60L, Witconate P 1220EH, Witconate P 1860; object_uuid=fo-d589efcafd80d13b |
| 264,811 | consensus_match | cas_match_labels | — | {"26264-06-2":"exactMatch"} | group_key=calciumdodecylbenzenesulphonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'26264-06-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d589efcafd80d13b: {'26264-06-2': 'exactMatch'} |
| 281,503 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | rdkit_post_consensus from 'CCCCCCCCCCCC.CCCCCCCCCCCC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,835 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30CaO3… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,405 | strip_catalogue_altlabels | altLabel | [{"@value":"1371A","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | [{"@value":"1371A","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | Removed 8 catalogue altLabel value(s): 'Atlox 4838B' (trade name), 'BC 2070M' (grade code), 'Calsogen 4814' (trade name), 'Emulsifier 1371A' (trade name), 'Ninate 401' (trade name), 'Ninate 401A' (trade name), 'Tanemul 1371A' (trade name), 'Trisol 460' (trade name) |
| 296,477 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/06f17234-779b-… | associations resolved on the elementary layer |
| 396,420 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/5644 | prefLabel | ef:agent/bootstrap_labels | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v0 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v1 |
| ef:activity/change/20260821T1554374006150000/5645 | name | ef:agent/bootstrap_labels | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v1 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v2 |
| ef:activity/change/20260821T1554374006150000/5646 | synonyms | ef:agent/bootstrap_labels | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v2 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v3 |
| ef:activity/change/20260821T1554374006150000/30876 | context | ef:agent/default_context_mapping | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v3 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v4 |
| ef:activity/change/20260821T1554374006150000/30877 | context_iri | ef:agent/default_context_mapping | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v4 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v5 |
| ef:activity/change/20260821T1554374006150000/215224 | unit_iri | ef:agent/unit_normalization | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v5 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v6 |
| ef:activity/change/20260821T1554374006150000/222400 | prefLabel | ef:agent/normalize_name_case | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v6 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v7 |
| ef:activity/change/20260821T1554374006150000/232610 | properties | ef:agent/enrich_references | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v7 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v8 |
| ef:activity/change/20260821T1554374006150000/232611 | skos_definition | ef:agent/enrich_references | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v8 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v9 |
| ef:activity/change/20260821T1554374006150000/232612 | references | ef:agent/enrich_references | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v9 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v10 |
| ef:activity/change/20260821T1554374006150000/249877 | properties | ef:agent/rdkit_pre_consensus | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v10 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v11 |
| ef:activity/change/20260821T1554374006150000/264810 | altLabel | ef:agent/consensus_match | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v11 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v12 |
| ef:activity/change/20260821T1554374006150000/264811 | cas_match_labels | ef:agent/consensus_match | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v12 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v13 |
| ef:activity/change/20260821T1554374006150000/281503 | properties | ef:agent/rdkit_post_consensus | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v13 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v14 |
| ef:activity/change/20260821T1554374006150000/286835 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v14 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v15 |
| ef:activity/change/20260821T1554374006150000/288405 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v15 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v16 |
| ef:activity/change/20260821T1554374006150000/296477 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v16 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v17 |
| ef:activity/change/20260821T1554374006150000/396420 | types | ef:agent/link_flows_to_their_substance | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v17 | ef:flow/06f17234-779b-434c-af21-bf4bc385b89b/v18 |