Sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl Sulphate
Everything that changed this flow. Back to the flow
e8331489-cd0e-4a23-af19-30ce10ccd888
By field
14 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 2 catalogue altLabel value(s): 'CS 330' (grade code), 'CS 330 (polyether)' (grade code) |
| 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-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethylsulphate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13150-00-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0a2db1b5b4850803: {'13150-00-0': '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 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 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 236-091-0 from CAS 13150-00-0 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13150-00-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23674622, 57357452, 131846718]; selected_pubchem_cids=[131846718]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,785 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 18,786 | bootstrap_labels | name | sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl sulphate | — | Purged legacy name field to enforce prefLabel usage |
| 18,787 | bootstrap_labels | synonyms | ["2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol hydrogen sulfate sodium salt","Dodecyltriethoxy sulfate","Ethanesulfonic ac… | [] | Removed legacy synonyms field in favor of structured labels |
| 188,786 | 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 |
| 188,787 | 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 |
| 219,471 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,369 | normalize_name_case | prefLabel | [{"@value":"sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"Sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl Sulphate","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,026 | ec_cross_check | ec_numbers | [] | ["236-091-0"] | Resolved from EC-inventory: 236-091-0 from CAS 13150-00-0 |
| 244,698 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H38NaO7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,699 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,700 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=13150-00-0","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['13150-00-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23674622, 57357452, 131846718]; selected_pubchem_cids=[131846718]; 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 |
| 253,366 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H38NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H38NaO7… | rdkit_pre_consensus from 'CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,717 | consensus_match | altLabel | [] | [{"@value":"Alscoap TH 330","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | group_key=sodium2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethylsulphate||dimension=Environmental > media=Air > indoor=Unknown; cas=13150-00-0; added Common Chemistry CAS names as altLabel: Alscoap TH 330, Alscoap TH 330K, CS 330, CS 330 (polyether), Ethanol, 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]-, 1-(hydrogen sulfate), sodium salt (1:1), Ethanol, 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]-, hydrogen sulfate, sodium salt, Micolin ES 430, Sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl sulfate, Sodium dodeceth-3 sulfate, Sodium dodecyltrioxyethylene sulfate, Sodium lauryl alcohol triglycol ether sulfate, Sodium lauryl triethoxy sulfate, Sodium lauryl(triethylene glycol) sulfate, Sodium lauryltrioxyethylene sulfate, Sodium triethylene glycol lauryl ether sulfate, Sulforokanol L 3, Sulforokanol L 370, Triethylene glycol dodecyl ether sulfate sodium salt, Triethylene glycol lauryl ether sodium sulfate, Triethylene glycol lauryl ether sulfate sodium salt, Triethylene glycol monododecyl ether sodium sulfate, Triethylene glycol monododecyl ether sulfate sodium salt, Triethylene glycol monolauryl ether sulfate sodium salt, Trioxyethylene lauryl ether sodium sulfate; object_uuid=fo-0a2db1b5b4850803 |
| 271,718 | consensus_match | cas_match_labels | — | {"13150-00-0":"exactMatch"} | group_key=sodium2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethylsulphate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13150-00-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0a2db1b5b4850803: {'13150-00-0': 'exactMatch'} |
| 278,577 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H38NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H38NaO7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl Sulphate' |
| 285,350 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H38NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H37NaO7… | rdkit_post_consensus from 'CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,136 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H37NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H37NaO7… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,035 | strip_catalogue_altlabels | altLabel | [{"@value":"Alscoap TH 330","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | [{"@value":"Alscoap TH 330","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | Removed 2 catalogue altLabel value(s): 'CS 330' (grade code), 'CS 330 (polyether)' (grade code) |
| 375,421 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e8331489-cd0e-… | associations resolved on the elementary layer |
| 401,656 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/18785 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v0 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v1 |
| ef:activity/change/20260821T1554374006150000/18786 | name | ef:agent/bootstrap_labels | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v1 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v2 |
| ef:activity/change/20260821T1554374006150000/18787 | synonyms | ef:agent/bootstrap_labels | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v2 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v3 |
| ef:activity/change/20260821T1554374006150000/188786 | context | ef:agent/default_context_mapping | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v3 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v4 |
| ef:activity/change/20260821T1554374006150000/188787 | context_iri | ef:agent/default_context_mapping | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v4 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v5 |
| ef:activity/change/20260821T1554374006150000/219471 | unit_iri | ef:agent/unit_normalization | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v5 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v6 |
| ef:activity/change/20260821T1554374006150000/225369 | prefLabel | ef:agent/normalize_name_case | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v6 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v7 |
| ef:activity/change/20260821T1554374006150000/227026 | ec_numbers | ef:agent/ec_cross_check | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v7 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v8 |
| ef:activity/change/20260821T1554374006150000/244698 | properties | ef:agent/enrich_references | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v8 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v9 |
| ef:activity/change/20260821T1554374006150000/244699 | skos_definition | ef:agent/enrich_references | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v9 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v10 |
| ef:activity/change/20260821T1554374006150000/244700 | references | ef:agent/enrich_references | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v10 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v11 |
| ef:activity/change/20260821T1554374006150000/253366 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v11 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v12 |
| ef:activity/change/20260821T1554374006150000/271717 | altLabel | ef:agent/consensus_match | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v12 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v13 |
| ef:activity/change/20260821T1554374006150000/271718 | cas_match_labels | ef:agent/consensus_match | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v13 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v14 |
| ef:activity/change/20260821T1554374006150000/278577 | properties | ef:agent/opsin_iupac | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v14 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v15 |
| ef:activity/change/20260821T1554374006150000/285350 | properties | ef:agent/rdkit_post_consensus | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v15 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v16 |
| ef:activity/change/20260821T1554374006150000/287136 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v16 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v17 |
| ef:activity/change/20260821T1554374006150000/291035 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v17 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v18 |
| ef:activity/change/20260821T1554374006150000/375421 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v18 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v19 |
| ef:activity/change/20260821T1554374006150000/401656 | types | ef:agent/link_flows_to_their_substance | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v19 | ef:flow/e8331489-cd0e-4a23-af19-30ce10ccd888/v20 |