Sodium Octyl Sulphate
Everything that changed this flow. Back to the flow
f38e7e65-75ca-4053-af5d-a34eaa538b2f
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Texapon 842' (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=sodiumoctylsulphate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'142-31-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1160a6b58baa246: {'142-31-4': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['142-31-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[24436, 362327, 2735107, 87237713]; selected_pubchem_cids=[87237713]; 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 |
|---|---|---|---|---|---|
| 21,390 | bootstrap_labels | prefLabel | — | [{"@value":"sodium octyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 21,391 | bootstrap_labels | name | sodium octyl sulphate | — | Purged legacy name field to enforce prefLabel usage |
| 21,392 | bootstrap_labels | synonyms | ["AC1MC2MA","AC1Q1VL7","Cycloryl OS","Duponol 80","I04-1107","OCTYL SODIUM SULFATE","OCTYL SULFATE","Octyl sulfate sodi… | [] | Removed legacy synonyms field in favor of structured labels |
| 196,214 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 196,215 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 220,208 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,933 | normalize_name_case | prefLabel | [{"@value":"sodium octyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Sodium Octyl Sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,751 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO4S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,752 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,753 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=142-31-4","provenance":{"prov:wasGeneratedBy":"enrich_references… | Added references with provenance; cas_numbers=['142-31-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[24436, 362327, 2735107, 87237713]; selected_pubchem_cids=[87237713]; 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 |
| 253,964 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO4S… | rdkit_pre_consensus from 'CCCCCCCCOS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,995 | consensus_match | altLabel | [] | [{"@value":"Cycloryl OS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | group_key=sodiumoctylsulphate||dimension=Environmental > media=Water > water_body=Ocean; cas=142-31-4; added Common Chemistry CAS names as altLabel: Cycloryl OS, Disponil SOS 842, Duponol 80, Octyl sodium sulfate, Polystep B 29, Polystep B 29M, SOS, Sipex OLS, Sodium <em>n</em>-octyl sulfate, Sodium caprylyl sulfate, Sodium monooctyl sulfate, Sodium octyl sulfate, Sulfochem NOS, Sulfuric acid, monooctyl ester, sodium salt, Sulfuric acid, monooctyl ester, sodium salt (1:1), Syntapon O, Texapon 842; object_uuid=fo-b1160a6b58baa246 |
| 271,996 | consensus_match | cas_match_labels | — | {"142-31-4":"exactMatch"} | group_key=sodiumoctylsulphate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'142-31-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1160a6b58baa246: {'142-31-4': 'exactMatch'} |
| 279,157 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO4S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Octyl Sulphate' |
| 286,011 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO4S… | rdkit_post_consensus from 'CCCCCCCCOS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,206 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO4S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,456 | strip_catalogue_altlabels | altLabel | [{"@value":"Cycloryl OS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | [{"@value":"Cycloryl OS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'Texapon 842' (trade name) |
| 379,140 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f38e7e65-75ca-… | associations resolved on the elementary layer |
| 402,585 | 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/20260821T1554374006150000/21390 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v0 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v1 |
| ef:activity/change/20260821T1554374006150000/21391 | name | ef:agent/bootstrap_labels | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v1 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v2 |
| ef:activity/change/20260821T1554374006150000/21392 | synonyms | ef:agent/bootstrap_labels | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v2 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v3 |
| ef:activity/change/20260821T1554374006150000/196214 | context | ef:agent/default_context_mapping | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v3 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v4 |
| ef:activity/change/20260821T1554374006150000/196215 | context_iri | ef:agent/default_context_mapping | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v4 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v5 |
| ef:activity/change/20260821T1554374006150000/220208 | unit_iri | ef:agent/unit_normalization | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v5 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v6 |
| ef:activity/change/20260821T1554374006150000/225933 | prefLabel | ef:agent/normalize_name_case | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v6 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v7 |
| ef:activity/change/20260821T1554374006150000/246751 | properties | ef:agent/enrich_references | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v7 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v8 |
| ef:activity/change/20260821T1554374006150000/246752 | skos_definition | ef:agent/enrich_references | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v8 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v9 |
| ef:activity/change/20260821T1554374006150000/246753 | references | ef:agent/enrich_references | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v9 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v10 |
| ef:activity/change/20260821T1554374006150000/253964 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v10 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v11 |
| ef:activity/change/20260821T1554374006150000/271995 | altLabel | ef:agent/consensus_match | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v11 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v12 |
| ef:activity/change/20260821T1554374006150000/271996 | cas_match_labels | ef:agent/consensus_match | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v12 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v13 |
| ef:activity/change/20260821T1554374006150000/279157 | properties | ef:agent/opsin_iupac | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v13 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v14 |
| ef:activity/change/20260821T1554374006150000/286011 | properties | ef:agent/rdkit_post_consensus | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v14 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v15 |
| ef:activity/change/20260821T1554374006150000/287206 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v15 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v16 |
| ef:activity/change/20260821T1554374006150000/291456 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v16 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v17 |
| ef:activity/change/20260821T1554374006150000/379140 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v17 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v18 |
| ef:activity/change/20260821T1554374006150000/402585 | types | ef:agent/link_flows_to_their_substance | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v18 | ef:flow/f38e7e65-75ca-4053-af5d-a34eaa538b2f/v19 |