Sodium 2-ethylhexyl Sulfate
Everything that changed this flow. Back to the flow
5a3cb37a-9761-4036-9ec8-04a2cad5e2f4
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NAS 08' (grade code), 'NSC 4744' (registry code), 'Texapon 890' (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=sodium2-ethylhexylsulfate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'126-92-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5499f8cb366fed7e: {'126-92-1': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-92-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[498033, 23619811, 23662383, 23688299, 24181097, 71464356]; selected_pubchem_cids=[24181097]; 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 |
|---|---|---|---|---|---|
| 1,120 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-ethylhexyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 1,121 | bootstrap_labels | name | sodium 2-ethylhexyl sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 1,122 | bootstrap_labels | synonyms | ["organic","sodiumetasulfate","syntaponeh"] | [] | Removed legacy synonyms field in favor of structured labels |
| 103,398 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 103,399 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 213,708 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,353 | normalize_name_case | prefLabel | [{"@value":"sodium 2-ethylhexyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Sodium 2-ethylhexyl Sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,247 | 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) |
| 228,248 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,249 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.004.376","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['126-92-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[498033, 23619811, 23662383, 23688299, 24181097, 71464356]; selected_pubchem_cids=[24181097]; 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 |
| 248,621 | 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 'CCCCC(CC)COS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,727 | consensus_match | altLabel | [] | [{"@value":"1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=sodium2-ethylhexylsulfate||dimension=Environmental > media=Air > indoor=Unknown; cas=126-92-1; added Common Chemistry CAS names as altLabel: 1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt, 2-Ethyl-1-hexanol sodium sulfate, 2-Ethyl-1-hexanol sulfate sodium salt, 2-Ethylhexyl sodium sulfate, 2-Ethylhexyl sulfate sodium salt, Avirol SA 4106, Carsonol SHS, Disponil EHS 47, Emcol D 5-10, Ethasulfate sodium, Kraftex OA, Lugalvan TC-EHS, Lutensit TC-EHS, NAS 08, NSC 4744, Newcol 1000SN, Niaproof 08, Nissan Sintrex EHR, Pentrone ON, Pionin A 20, Rewopol D 510NC, Rewopol NEHS 40, Rhodapon BOS, Rhodapon OLS, Sandet OHE, Sandet ONA, Sinolin SO 35, Sintrex EHR, Sodium etasulfate, Sodium ethasulfate, Sodium octyl sulfate, Sodium octyl sulphate, Sole Tege TS 25, Stepanol EHS, Steponol EHS, Sulfirol 8, Sulfopon O, Sulfotex CA, Sulfotex OA, Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt, Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1), Supralate SP, TC-EHS, Tergemist, Tergimist, Tergitol 08, Tergitol Anionic 08, Texapon 890, Texapon EHS, Witcolate D 5-10; object_uuid=fo-5499f8cb366fed7e |
| 271,728 | consensus_match | cas_match_labels | — | {"126-92-1":"exactMatch"} | group_key=sodium2-ethylhexylsulfate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'126-92-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5499f8cb366fed7e: {'126-92-1': 'exactMatch'} |
| 280,125 | 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":["C8H18NaO4S… | rdkit_post_consensus from 'CCCCC(CC)COS(=O)(=O)O.[Na]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,482 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"conse… | Removed 3 catalogue altLabel value(s): 'NAS 08' (grade code), 'NSC 4744' (registry code), 'Texapon 890' (trade name) |
| 332,696 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a3cb37a-9761-… | associations resolved on the elementary layer |
| 388,024 | normalise_property_values | 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… | typed the way the ontology types it |
| 394,609 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1554374006150000/1120 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v0 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v1 |
| ef:activity/change/20260821T1554374006150000/1121 | name | ef:agent/bootstrap_labels | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v1 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v2 |
| ef:activity/change/20260821T1554374006150000/1122 | synonyms | ef:agent/bootstrap_labels | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v2 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v3 |
| ef:activity/change/20260821T1554374006150000/103398 | context | ef:agent/default_context_mapping | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v3 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v4 |
| ef:activity/change/20260821T1554374006150000/103399 | context_iri | ef:agent/default_context_mapping | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v4 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v5 |
| ef:activity/change/20260821T1554374006150000/213708 | unit_iri | ef:agent/unit_normalization | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v5 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v6 |
| ef:activity/change/20260821T1554374006150000/221353 | prefLabel | ef:agent/normalize_name_case | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v6 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v7 |
| ef:activity/change/20260821T1554374006150000/228247 | properties | ef:agent/enrich_references | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v7 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v8 |
| ef:activity/change/20260821T1554374006150000/228248 | skos_definition | ef:agent/enrich_references | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v8 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v9 |
| ef:activity/change/20260821T1554374006150000/228249 | references | ef:agent/enrich_references | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v9 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v10 |
| ef:activity/change/20260821T1554374006150000/248621 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v10 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v11 |
| ef:activity/change/20260821T1554374006150000/271727 | altLabel | ef:agent/consensus_match | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v11 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v12 |
| ef:activity/change/20260821T1554374006150000/271728 | cas_match_labels | ef:agent/consensus_match | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v12 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v13 |
| ef:activity/change/20260821T1554374006150000/280125 | properties | ef:agent/rdkit_post_consensus | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v13 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v14 |
| ef:activity/change/20260821T1554374006150000/287482 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v14 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v15 |
| ef:activity/change/20260821T1554374006150000/332696 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v15 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v16 |
| ef:activity/change/20260821T1554374006150000/388024 | properties | ef:agent/normalise_property_values | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v16 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v17 |
| ef:activity/change/20260821T1554374006150000/394609 | types | ef:agent/link_flows_to_their_substance | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v17 | ef:flow/5a3cb37a-9761-4036-9ec8-04a2cad5e2f4/v18 |