Hexadecyl 2-ethylhexanoate
Everything that changed this flow. Back to the flow
12f174e5-b8b6-4bb5-b0c4-7b8d290677d2
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, 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): 'Pelemol 168' (trade name), 'Salacos 816' (trade name), 'Salacos 816T' (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=hexadecyl2-ethylhexanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'59130-69-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e3c295f17b0f962e: {'59130-69-7': '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=['59130-69-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[42956, 448864, 528356]; selected_pubchem_cids=[42956]; 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 |
|---|---|---|---|---|---|
| 13,906 | bootstrap_labels | prefLabel | — | [{"@value":"hexadecyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 13,907 | bootstrap_labels | name | hexadecyl 2-ethylhexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 13,908 | bootstrap_labels | synonyms | ["organic","hexadecyl2-ethylhexanoate","ceh","dermol168","salacos816t","waglinol242","waglinol242n"] | [] | Removed legacy synonyms field in favor of structured labels |
| 48,554 | 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 |
| 48,555 | 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 |
| 217,933 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,312 | normalize_name_case | prefLabel | [{"@value":"hexadecyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"Hexadecyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,352 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,353 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,354 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J308.627E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['59130-69-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[42956, 448864, 528356]; selected_pubchem_cids=[42956]; 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 |
| 252,107 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC'; added: molecular_mass, monoisotopic_mass |
| 267,639 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexanoic acid hexadecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=hexadecyl2-ethylhexanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=59130-69-7; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoic acid hexadecyl ester, CEH, CIO-N, Cetearyl Ethylhexanoate, Cetiol SN 1, Cetiol SN 1F, Cetyl 2-ethylhexanoate, Cetyl ethylhexanoate, DUB Liquide 85, Exceparl HO, Hexanoic acid, 2-ethyl-, hexadecyl ester, NS-CIO, Nikkol CIO, Nikkol CIO-J, Nikkol SG-CIO, PCL-Liquid 100, Pelemol 168, Salacos 816, Salacos 816T, Schercemol CO, Tegosoft CO, Telcol, Trivent OC 16; object_uuid=fo-e3c295f17b0f962e |
| 267,640 | consensus_match | cas_match_labels | — | {"59130-69-7":"exactMatch"} | group_key=hexadecyl2-ethylhexanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'59130-69-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e3c295f17b0f962e: {'59130-69-7': 'exactMatch'} |
| 277,301 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexadecyl 2-ethylhexanoate' |
| 283,975 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,107 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexanoic acid hexadecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"2-Ethylhexanoic acid hexadecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 3 catalogue altLabel value(s): 'Pelemol 168' (trade name), 'Salacos 816' (trade name), 'Salacos 816T' (trade name) |
| 305,304 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/12f174e5-b8b6-… | associations resolved on the elementary layer |
| 391,656 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H48O2"]… | typed the way the ontology types it |
| 399,787 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/13906 | prefLabel | ef:agent/bootstrap_labels | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v0 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v1 |
| ef:activity/change/20260822T0600486828500000/13907 | name | ef:agent/bootstrap_labels | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v1 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v2 |
| ef:activity/change/20260822T0600486828500000/13908 | synonyms | ef:agent/bootstrap_labels | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v2 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v3 |
| ef:activity/change/20260822T0600486828500000/48554 | context | ef:agent/default_context_mapping | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v3 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v4 |
| ef:activity/change/20260822T0600486828500000/48555 | context_iri | ef:agent/default_context_mapping | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v4 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v5 |
| ef:activity/change/20260822T0600486828500000/217933 | unit_iri | ef:agent/unit_normalization | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v5 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v6 |
| ef:activity/change/20260822T0600486828500000/224312 | prefLabel | ef:agent/normalize_name_case | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v6 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v7 |
| ef:activity/change/20260822T0600486828500000/240352 | properties | ef:agent/enrich_references | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v7 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v8 |
| ef:activity/change/20260822T0600486828500000/240353 | skos_definition | ef:agent/enrich_references | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v8 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v9 |
| ef:activity/change/20260822T0600486828500000/240354 | references | ef:agent/enrich_references | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v9 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v10 |
| ef:activity/change/20260822T0600486828500000/252107 | properties | ef:agent/rdkit_pre_consensus | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v10 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v11 |
| ef:activity/change/20260822T0600486828500000/267639 | altLabel | ef:agent/consensus_match | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v11 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v12 |
| ef:activity/change/20260822T0600486828500000/267640 | cas_match_labels | ef:agent/consensus_match | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v12 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v13 |
| ef:activity/change/20260822T0600486828500000/277301 | properties | ef:agent/opsin_iupac | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v13 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v14 |
| ef:activity/change/20260822T0600486828500000/283975 | properties | ef:agent/rdkit_post_consensus | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v14 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v15 |
| ef:activity/change/20260822T0600486828500000/290107 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v15 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v16 |
| ef:activity/change/20260822T0600486828500000/305304 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v16 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v17 |
| ef:activity/change/20260822T0600486828500000/391656 | properties | ef:agent/normalise_property_values | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v17 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v18 |
| ef:activity/change/20260822T0600486828500000/399787 | types | ef:agent/link_flows_to_their_substance | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v18 | ef:flow/12f174e5-b8b6-4bb5-b0c4-7b8d290677d2/v19 |