Dodecylbenzenesulphonic Acid
Everything that changed this flow. Back to the flow
a3971d9f-c550-43af-afc9-87975cb6ccd1
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 24 catalogue altLabel value(s): 'A 40S' (grade code), 'A 98' (grade code), 'ABS 100' (grade code), 'B 121' (grade code), 'Cat 6000' (grade code), 'Catalyst 600' (trade name), 'Catalyst 6000' (trade name), 'Cycat 600' (trade name), 'E 7256' (grade code), 'LAS 99' (grade code), 'LE 4476' (grade code), 'Nacure 5074' (trade name), 'Nacure 5076' (trade name), 'Nacure 5525' (trade name), 'Nansa 1042' (trade name), 'Nansa 1042P' (trade name), 'S 100' (grade code), 'Statsafe 6000' (trade name), 'Sulframin 1298' (trade name), 'Sulframin Acid 1298' (trade name), and 4 more |
| 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=dodecylbenzenesulphonicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'27176-87-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a90779d305bca3ab: {'27176-87-0': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['27176-87-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[8485, 25455, 25457, 29249, 19065493, 23662403]; selected_pubchem_cids=[8485, 25455, 25457, 19065493]; 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 |
|---|---|---|---|---|---|
| 16,161 | bootstrap_labels | prefLabel | — | [{"@value":"dodecylbenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 16,162 | bootstrap_labels | name | dodecylbenzenesulphonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 16,163 | bootstrap_labels | synonyms | ["AB1003377","Alkylbenzenesulfonic Acid Sodium Salt","Benzenesulfonic acid, 2-dodecyl-, sodium salt","Benzenesulfonic a… | [] | Removed legacy synonyms field in favor of structured labels |
| 147,208 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 147,209 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 218,646 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,805 | normalize_name_case | prefLabel | [{"@value":"dodecylbenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Dodecylbenzenesulphonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,389 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 242,390 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,391 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J181.022G","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['27176-87-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[8485, 25455, 25457, 29249, 19065493, 23662403]; selected_pubchem_cids=[8485, 25455, 25457, 19065493]; 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 |
| 252,704 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | rdkit_pre_consensus from 'CCCCCCCCCCCC.C1=CC=C(C=C1)S(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 266,644 | consensus_match | altLabel | [] | [{"@value":"83X822","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensu… | group_key=dodecylbenzenesulphonicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=27176-87-0; added Common Chemistry CAS names as altLabel: 83X822, <em>n</em>-Dodecylbenzenesulfonic acid, A 40S, A 98, ABS 100, Ambicat LE 4476, B 121, Benzenesulfonic acid, dodecyl-, Bio-Soft LA acid, Bio-Soft S 100, Bio-Soft S 101, Bio-Soft S 126, CATA CFC 5019KC, Calsoft LAS 99, Cat 6000, Catalyst 600, Catalyst 6000, Cycat 600, DBS, DBSA, DDBSA, Dobanic acid, Dodecylbenzenesulfonic acid, E 7256, Elfan WA Sulfonic Acid, LABS, LABS (detergent), LAS 99, LE 4476, Laurylbenzenesulfonic acid, Lipon LH 500, Lunan A 98, Maranil DBS, Marlon AS 3, Nacconol 98SA, Nacure 5074, Nacure 5076, Nacure 5525, Nacure XC-C 203, Nacure XP 221, Nansa 1042, Nansa 1042P, Nansa SSA, Neopelex FS, Neopelex GS, Neopelex GS-P, P 3 Vetralat, Pelex F 25, Polystep A 13, Rhodacal SSA/A, Richonic Acid B, S 100, Soft Osen 5S, Statsafe 6000, Sulfosoft, Sulframin 1298, Sulframin Acid 1298, Taycacure AC 400S, Taycacure AC 430, Taycacure AC 450, Taycapower B 121, Taycapower L 120D, Taycapower L 121, Taycapower L 122, Taycatox 120, Ufacid K, Vanwet acid 98, Witco 1298, Witco 1298 Acid Soft, Witco 1298 Soft Acid, Witconic 1298 Hard Acid, Witconic 1298 Soft Acid, Witconic 1298H, XP 221; object_uuid=fo-a90779d305bca3ab |
| 266,645 | consensus_match | cas_match_labels | — | {"27176-87-0":"exactMatch"} | group_key=dodecylbenzenesulphonicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'27176-87-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a90779d305bca3ab: {'27176-87-0': 'exactMatch'} |
| 277,910 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dodecylbenzenesulphonic Acid' |
| 284,622 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | rdkit_post_consensus from 'CCCCCCCCCCCCc1ccccc1S(=O)(=O)O'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 287,077 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H30O3S"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| 290,536 | strip_catalogue_altlabels | altLabel | [{"@value":"83X822","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensu… | [{"@value":"83X822","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensu… | Removed 24 catalogue altLabel value(s): 'A 40S' (grade code), 'A 98' (grade code), 'ABS 100' (grade code), 'B 121' (grade code), 'Cat 6000' (grade code), 'Catalyst 600' (trade name), 'Catalyst 6000' (trade name), 'Cycat 600' (trade name), 'E 7256' (grade code), 'LAS 99' (grade code), 'LE 4476' (grade code), 'Nacure 5074' (trade name), 'Nacure 5076' (trade name), 'Nacure 5525' (trade name), 'Nansa 1042' (trade name), 'Nansa 1042P' (trade name), 'S 100' (grade code), 'Statsafe 6000' (trade name), 'Sulframin 1298' (trade name), 'Sulframin Acid 1298' (trade name), and 4 more |
| 354,626 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a3971d9f-c550-… | associations resolved on the elementary layer |
| 400,639 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/16161 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v0 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v1 |
| ef:activity/change/20260822T0600486828500000/16162 | name | ef:agent/bootstrap_labels | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v1 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v2 |
| ef:activity/change/20260822T0600486828500000/16163 | synonyms | ef:agent/bootstrap_labels | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v2 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v3 |
| ef:activity/change/20260822T0600486828500000/147208 | context | ef:agent/default_context_mapping | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v3 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v4 |
| ef:activity/change/20260822T0600486828500000/147209 | context_iri | ef:agent/default_context_mapping | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v4 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v5 |
| ef:activity/change/20260822T0600486828500000/218646 | unit_iri | ef:agent/unit_normalization | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v5 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v6 |
| ef:activity/change/20260822T0600486828500000/224805 | prefLabel | ef:agent/normalize_name_case | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v6 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v7 |
| ef:activity/change/20260822T0600486828500000/242389 | properties | ef:agent/enrich_references | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v7 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v8 |
| ef:activity/change/20260822T0600486828500000/242390 | skos_definition | ef:agent/enrich_references | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v8 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v9 |
| ef:activity/change/20260822T0600486828500000/242391 | references | ef:agent/enrich_references | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v9 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v10 |
| ef:activity/change/20260822T0600486828500000/252704 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v10 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v11 |
| ef:activity/change/20260822T0600486828500000/266644 | altLabel | ef:agent/consensus_match | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v11 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v12 |
| ef:activity/change/20260822T0600486828500000/266645 | cas_match_labels | ef:agent/consensus_match | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v12 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v13 |
| ef:activity/change/20260822T0600486828500000/277910 | properties | ef:agent/opsin_iupac | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v13 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v14 |
| ef:activity/change/20260822T0600486828500000/284622 | properties | ef:agent/rdkit_post_consensus | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v14 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v15 |
| ef:activity/change/20260822T0600486828500000/287077 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v15 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v16 |
| ef:activity/change/20260822T0600486828500000/290536 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v16 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v17 |
| ef:activity/change/20260822T0600486828500000/354626 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v17 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v18 |
| ef:activity/change/20260822T0600486828500000/400639 | types | ef:agent/link_flows_to_their_substance | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v18 | ef:flow/a3971d9f-c550-43af-afc9-87975cb6ccd1/v19 |