Vinyl 2-ethylhexanoate
Everything that changed this flow. Back to the flow
8a8d9a9d-d9a9-4e43-b123-8aad686e0706
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 1 catalogue altLabel value(s): 'NSC 5312' (registry 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=vinyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'94-04-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc7b6136c40f2bee: {'94-04-2': '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=['94-04-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[62343]; selected_pubchem_cids=[62343]; 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 |
|---|---|---|---|---|---|
| 5,256 | bootstrap_labels | prefLabel | — | [{"@value":"vinyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 5,257 | bootstrap_labels | name | vinyl 2-ethylhexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 5,258 | bootstrap_labels | synonyms | ["organic","vinyl2-ethylhexanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 132,222 | 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 |
| 132,223 | 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 |
| 215,094 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,307 | normalize_name_case | prefLabel | [{"@value":"vinyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Vinyl 2-ethylhexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,232 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,233 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,234 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.966G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['94-04-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[62343]; selected_pubchem_cids=[62343]; 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 |
| 249,768 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)OC=C'; added: molecular_mass, monoisotopic_mass |
| 273,237 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexanoic acid, vinyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=vinyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; cas=94-04-2; added Common Chemistry CAS names as altLabel: 2-Ethylhexanoic acid, vinyl ester, Hexanoic acid, 2-ethyl-, ethenyl ester, Hexanoic acid, 2-ethyl-, vinyl ester, NSC 5312, VeoVa EH, Vinyl 2-ethylhexoate, Vynate 2EH; object_uuid=fo-cc7b6136c40f2bee |
| 273,238 | consensus_match | cas_match_labels | — | {"94-04-2":"exactMatch"} | group_key=vinyl2-ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'94-04-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc7b6136c40f2bee: {'94-04-2': 'exactMatch'} |
| 274,907 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Vinyl 2-ethylhexanoate' |
| 281,383 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | rdkit_post_consensus from 'C=COC(=O)C(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,331 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexanoic acid, vinyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"2-Ethylhexanoic acid, vinyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Removed 1 catalogue altLabel value(s): 'NSC 5312' (registry code) |
| 347,106 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8a8d9a9d-d9a9-… | associations resolved on the elementary layer |
| 389,212 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O2"]… | typed the way the ontology types it |
| 396,265 | 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/20260821T1302361922970000/5256 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v0 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v1 |
| ef:activity/change/20260821T1302361922970000/5257 | name | ef:agent/bootstrap_labels | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v1 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v2 |
| ef:activity/change/20260821T1302361922970000/5258 | synonyms | ef:agent/bootstrap_labels | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v2 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v3 |
| ef:activity/change/20260821T1302361922970000/132222 | context | ef:agent/default_context_mapping | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v3 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v4 |
| ef:activity/change/20260821T1302361922970000/132223 | context_iri | ef:agent/default_context_mapping | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v4 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v5 |
| ef:activity/change/20260821T1302361922970000/215094 | unit_iri | ef:agent/unit_normalization | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v5 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v6 |
| ef:activity/change/20260821T1302361922970000/222307 | prefLabel | ef:agent/normalize_name_case | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v6 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v7 |
| ef:activity/change/20260821T1302361922970000/232232 | properties | ef:agent/enrich_references | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v7 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v8 |
| ef:activity/change/20260821T1302361922970000/232233 | skos_definition | ef:agent/enrich_references | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v8 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v9 |
| ef:activity/change/20260821T1302361922970000/232234 | references | ef:agent/enrich_references | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v9 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v10 |
| ef:activity/change/20260821T1302361922970000/249768 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v10 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v11 |
| ef:activity/change/20260821T1302361922970000/273237 | altLabel | ef:agent/consensus_match | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v11 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v12 |
| ef:activity/change/20260821T1302361922970000/273238 | cas_match_labels | ef:agent/consensus_match | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v12 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v13 |
| ef:activity/change/20260821T1302361922970000/274907 | properties | ef:agent/opsin_iupac | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v13 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v14 |
| ef:activity/change/20260821T1302361922970000/281383 | properties | ef:agent/rdkit_post_consensus | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v14 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v15 |
| ef:activity/change/20260821T1302361922970000/288331 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v15 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v16 |
| ef:activity/change/20260821T1302361922970000/347106 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v16 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v17 |
| ef:activity/change/20260821T1302361922970000/389212 | properties | ef:agent/normalise_property_values | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v17 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v18 |
| ef:activity/change/20260821T1302361922970000/396265 | types | ef:agent/link_flows_to_their_substance | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v18 | ef:flow/8a8d9a9d-d9a9-4e43-b123-8aad686e0706/v19 |