Sodium Octane-1-sulphonate Monohydrate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-e43f7b5c2ce3a2a3
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 245 | bootstrap_labels | prefLabel | — | [{"@value":"sodium octane-1-sulphonate monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 246 | bootstrap_labels | name | sodium octane-1-sulphonate monohydrate | — | Purged legacy name field to enforce prefLabel usage |
| 247 | bootstrap_labels | synonyms | ["1-OCTANE SULFONIC ACID, Na","1-Octanesulfonic acid sodium salt","1-Octanesulfonic acid, sodium salt","1-Octanesulfoni… | [] | Removed legacy synonyms field in favor of structured labels |
| 15,613 | bootstrap_labels | synonyms | ["sodiumoctane-1-sulphonatemonohydrate","1-octanesulfonicacid,sodiumsalt","1-octanesulfonicacid,sodiumsalt(1:1)","octan… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,060 | 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 |
| 26,061 | 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 |
| 52,078 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 52,079 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 75,578 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 75,579 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 116,246 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 116,247 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 119,504 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 119,505 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 129,562 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 129,563 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 143,544 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 143,545 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 159,130 | 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 |
| 159,131 | 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 |
| 161,840 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 161,841 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 170,844 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 170,845 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 176,284 | 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 |
| 176,285 | 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 |
| 176,434 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 176,435 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 176,638 | 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 |
| 176,639 | 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 |
| 213,420 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,146 | normalize_name_case | prefLabel | [{"@value":"sodium octane-1-sulphonate monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"Sodium Octane-1-sulphonate Monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,403 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,404 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,405 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.023.815","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['5324-84-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[49939, 18541926, 23666339, 23669624, 45052255]; selected_pubchem_cids=[45052255]; 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 |
| 248,380 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | rdkit_pre_consensus from 'CCCCCCCCS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 272,011 | consensus_match | altLabel | [] | [{"@value":"1-Octanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; added Common Chemistry CAS names as altLabel: 1-Octanesulfonic acid, sodium salt, 1-Octanesulfonic acid, sodium salt (1:1), Bio-Terge PAS 8, Bio-Terge PAS 8SF, NAS 8RF, NAS-FAL, Sodium 1-octanesulfonate, Sodium <em>n</em>-octanesulfonate, Sodium <em>n</em>-octylsulfonate, Sodium caprylyl sulfonate, Sodium octanesulfonate, Sodium octylsulfonate, Witconate NAS-FAL; object_uuid=fo-e43f7b5c2ce3a2a3 |
| 272,012 | consensus_match | cas_match_labels | — | {"5324-84-5":"exactMatch"} | group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5324-84-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e43f7b5c2ce3a2a3: {'5324-84-5': 'exactMatch'} |
| 273,521 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Octanesulfonic acid, sodium salt' |
| 279,876 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO3S… | rdkit_post_consensus from 'CCCCCCCCS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,731 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NaO3S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,977 | dedupe_altlabels | altLabel | [{"@value":"1-Octanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"1-Octanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Deduplicated altLabel values and removed entries matching prefLabel |
| 294,094 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/00424dd7-d03f-… | associations resolved on the elementary layer |
| 307,086 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/175f717c-d98a-… | associations resolved on the elementary layer |
| 318,824 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ad3b065-43a8-… | associations resolved on the elementary layer |
| 339,142 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6f8c99ba-3666-… | associations resolved on the elementary layer |
| 340,770 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/751a6c8c-7192-… | associations resolved on the elementary layer |
| 345,802 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/861dd89e-4f1d-… | associations resolved on the elementary layer |
| 352,794 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9d94e847-e8b1-… | associations resolved on the elementary layer |
| 360,609 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b82dc62e-b820-… | associations resolved on the elementary layer |