Calcium Bis(2-ethylhexanoate)
Everything that changed this flow. Back to the flow
2f73c464-b745-492d-a8d2-2c9f1d172c6d
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Alfa 36657' (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=calciumbis(2-ethylhexanoate)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'136-51-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25ad5bb09ce7ce0d: {'136-51-6': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['136-51-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[61082, 3556121, 16212325, 130422882, 131728182]; selected_pubchem_cids=[16212325]; 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 |
|---|---|---|---|---|---|
| 3,965 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 3,966 | bootstrap_labels | name | calcium bis(2-ethylhexanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 3,967 | bootstrap_labels | synonyms | ["organic","calciumbis(2-ethylhexanoate)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 68,190 | 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 |
| 68,191 | 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 |
| 214,665 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,999 | normalize_name_case | prefLabel | [{"@value":"calcium bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Calcium Bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,002 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16CaO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,003 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,004 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=136-51-6","provenance":{"prov:wasGeneratedBy":"enrich_references… | Added references with provenance; cas_numbers=['136-51-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[61082, 3556121, 16212325, 130422882, 131728182]; selected_pubchem_cids=[16212325]; 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 |
| 249,419 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16CaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16CaO2"… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O.[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,757 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexanoic acid calcium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=calciumbis(2-ethylhexanoate)||dimension=Environmental > media=Water > water_body=Surface water; cas=136-51-6; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoic acid calcium salt, Alfa 36657, Calcium 2-ethylhexanoate, Calcium 2-ethylhexoate, Calcium Hex-Cem, Calcium bis(2-ethyl hexanoate), Hexanoic acid, 2-ethyl-, calcium salt, Hexanoic acid, 2-ethyl-, calcium salt (2:1), NUSA Ca, Nikka Octhix Ca 5%T, Nikka Octhix Calcium, Octa-Soligen Calcium 7HS, Octope Ca, Valirex Ca 5; object_uuid=fo-25ad5bb09ce7ce0d |
| 264,758 | consensus_match | cas_match_labels | — | {"136-51-6":"exactMatch"} | group_key=calciumbis(2-ethylhexanoate)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'136-51-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25ad5bb09ce7ce0d: {'136-51-6': 'exactMatch'} |
| 274,552 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16CaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16CaO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium Bis(2-ethylhexanoate)' |
| 280,998 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16CaO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30CaO4… | rdkit_post_consensus from 'CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,655 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30CaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30CaO4… | withhold_contradicted_composition: the registry registers [(('C', 16), ('Ca', 1), ('O', 4))], contradicting ['C8H16CaO2'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 288,067 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexanoic acid calcium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"2-Ethylhexanoic acid calcium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Removed 1 catalogue altLabel value(s): 'Alfa 36657' (grade code) |
| 315,112 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f73c464-b745-… | associations resolved on the elementary layer |
| 388,854 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30CaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30CaO4… | typed the way the ontology types it |
| 395,763 | 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/20260821T1554374006150000/3965 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v0 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v1 |
| ef:activity/change/20260821T1554374006150000/3966 | name | ef:agent/bootstrap_labels | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v1 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v2 |
| ef:activity/change/20260821T1554374006150000/3967 | synonyms | ef:agent/bootstrap_labels | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v2 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v3 |
| ef:activity/change/20260821T1554374006150000/68190 | context | ef:agent/default_context_mapping | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v3 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v4 |
| ef:activity/change/20260821T1554374006150000/68191 | context_iri | ef:agent/default_context_mapping | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v4 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v5 |
| ef:activity/change/20260821T1554374006150000/214665 | unit_iri | ef:agent/unit_normalization | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v5 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v6 |
| ef:activity/change/20260821T1554374006150000/221999 | prefLabel | ef:agent/normalize_name_case | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v6 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v7 |
| ef:activity/change/20260821T1554374006150000/231002 | properties | ef:agent/enrich_references | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v7 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v8 |
| ef:activity/change/20260821T1554374006150000/231003 | skos_definition | ef:agent/enrich_references | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v8 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v9 |
| ef:activity/change/20260821T1554374006150000/231004 | references | ef:agent/enrich_references | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v9 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v10 |
| ef:activity/change/20260821T1554374006150000/249419 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v10 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v11 |
| ef:activity/change/20260821T1554374006150000/264757 | altLabel | ef:agent/consensus_match | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v11 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v12 |
| ef:activity/change/20260821T1554374006150000/264758 | cas_match_labels | ef:agent/consensus_match | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v12 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v13 |
| ef:activity/change/20260821T1554374006150000/274552 | properties | ef:agent/opsin_iupac | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v13 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v14 |
| ef:activity/change/20260821T1554374006150000/280998 | properties | ef:agent/rdkit_post_consensus | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v14 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v15 |
| ef:activity/change/20260821T1554374006150000/286655 | properties | ef:agent/withhold_contradicted_composition | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v15 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v16 |
| ef:activity/change/20260821T1554374006150000/288067 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v16 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v17 |
| ef:activity/change/20260821T1554374006150000/315112 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v17 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v18 |
| ef:activity/change/20260821T1554374006150000/388854 | properties | ef:agent/normalise_property_values | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v18 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v19 |
| ef:activity/change/20260821T1554374006150000/395763 | types | ef:agent/link_flows_to_their_substance | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v19 | ef:flow/2f73c464-b745-492d-a8d2-2c9f1d172c6d/v20 |