Sodium 2,3-diisobutylnaphthalene-1-sulfonate
Everything that changed this flow. Back to the flow
535ac580-f4d4-4670-a1a3-0f8f14561480
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 2 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=sodium2,3-diisobutylnaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=27213-90-7; added Common Chemistry CAS names as altLabel: Diisobutylnaphthalenesulfonic acid sodium salt, Erkantol BX, Naphthalenesulfonic acid, bis(2-methylpropyl)-, sodium salt, Naphthalenesulfonic acid, bis(2-methylpropyl)-, sodium salt (1:1), Naphthalenesulfonic acid, diisobutyl-, sodium salt, Sodium diisobutylnaphthalenesulfonate; object_uuid=fo-b68ad03a8cfd2bb7 |
| cas_match_labels | 1 | consensus_match | group_key=sodium2,3-diisobutylnaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'27213-90-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b68ad03a8cfd2bb7: {'27213-90-7': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['27213-90-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[23663678, 169434456]; selected_pubchem_cids=[23663678, 169434456]; 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 |
|---|---|---|---|---|---|
| 16,557 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2,3-diisobutylnaphthalene-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 16,558 | bootstrap_labels | name | sodium 2,3-diisobutylnaphthalene-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 16,559 | bootstrap_labels | synonyms | ["organic","sodiumdiisobutylnaphthalenesulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 99,454 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 99,455 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 218,773 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,888 | normalize_name_case | prefLabel | [{"@value":"sodium 2,3-diisobutylnaphthalene-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Sodium 2,3-diisobutylnaphthalene-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,748 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 242,749 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,750 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.043.919","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['27213-90-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[23663678, 169434456]; selected_pubchem_cids=[23663678, 169434456]; 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 |
| 252,805 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | rdkit_pre_consensus from 'CC(C)C.C1=CC=C2C=CC=CC2=C1.OS(=O)=O.[Na]'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 271,689 | consensus_match | altLabel | [] | [{"@value":"Diisobutylnaphthalenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=sodium2,3-diisobutylnaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=27213-90-7; added Common Chemistry CAS names as altLabel: Diisobutylnaphthalenesulfonic acid sodium salt, Erkantol BX, Naphthalenesulfonic acid, bis(2-methylpropyl)-, sodium salt, Naphthalenesulfonic acid, bis(2-methylpropyl)-, sodium salt (1:1), Naphthalenesulfonic acid, diisobutyl-, sodium salt, Sodium diisobutylnaphthalenesulfonate; object_uuid=fo-b68ad03a8cfd2bb7 |
| 271,690 | consensus_match | cas_match_labels | — | {"27213-90-7":"exactMatch"} | group_key=sodium2,3-diisobutylnaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'27213-90-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b68ad03a8cfd2bb7: {'27213-90-7': 'exactMatch'} |
| 278,006 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2,3-diisobutylnaphthalene-1-sulfonate' |
| 284,734 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | rdkit_post_consensus from 'CC(C)Cc1cc2ccccc2c(S(=O)(=O)[O-])c1CC(C)C.[Na+]'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 287,089 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H20NaO3… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 330,724 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/535ac580-f4d4-… | associations resolved on the elementary layer |
| 400,795 | 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/20260821T1554374006150000/16557 | prefLabel | ef:agent/bootstrap_labels | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v0 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v1 |
| ef:activity/change/20260821T1554374006150000/16558 | name | ef:agent/bootstrap_labels | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v1 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v2 |
| ef:activity/change/20260821T1554374006150000/16559 | synonyms | ef:agent/bootstrap_labels | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v2 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v3 |
| ef:activity/change/20260821T1554374006150000/99454 | context | ef:agent/default_context_mapping | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v3 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v4 |
| ef:activity/change/20260821T1554374006150000/99455 | context_iri | ef:agent/default_context_mapping | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v4 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v5 |
| ef:activity/change/20260821T1554374006150000/218773 | unit_iri | ef:agent/unit_normalization | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v5 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v6 |
| ef:activity/change/20260821T1554374006150000/224888 | prefLabel | ef:agent/normalize_name_case | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v6 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v7 |
| ef:activity/change/20260821T1554374006150000/242748 | properties | ef:agent/enrich_references | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v7 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v8 |
| ef:activity/change/20260821T1554374006150000/242749 | skos_definition | ef:agent/enrich_references | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v8 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v9 |
| ef:activity/change/20260821T1554374006150000/242750 | references | ef:agent/enrich_references | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v9 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v10 |
| ef:activity/change/20260821T1554374006150000/252805 | properties | ef:agent/rdkit_pre_consensus | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v10 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v11 |
| ef:activity/change/20260821T1554374006150000/271689 | altLabel | ef:agent/consensus_match | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v11 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v12 |
| ef:activity/change/20260821T1554374006150000/271690 | cas_match_labels | ef:agent/consensus_match | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v12 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v13 |
| ef:activity/change/20260821T1554374006150000/278006 | properties | ef:agent/opsin_iupac | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v13 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v14 |
| ef:activity/change/20260821T1554374006150000/284734 | properties | ef:agent/rdkit_post_consensus | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v14 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v15 |
| ef:activity/change/20260821T1554374006150000/287089 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v15 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v16 |
| ef:activity/change/20260821T1554374006150000/330724 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v16 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v17 |
| ef:activity/change/20260821T1554374006150000/400795 | types | ef:agent/link_flows_to_their_substance | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v17 | ef:flow/535ac580-f4d4-4670-a1a3-0f8f14561480/v18 |