Propanoic Acid, 2-hydroxy-, 2-ethylhexyl Ester, (2s)-
Everything that changed this flow. Back to the flow
d98bd93f-0af1-40f5-9c62-a5ec7da470e3
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=propanoicacid,2-hydroxy-,2-ethylhexylester,(2s)-||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'186817-80-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-737b733c2764193b: {'186817-80-1': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['186817-80-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[93026, 154073, 51381254, 70700521, 133109064]; selected_pubchem_cids=[154073]; 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 |
|---|---|---|---|---|---|
| 2,130 | bootstrap_labels | prefLabel | — | [{"@value":"propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2s)-","@language":"en","source":{"prov:wasGeneratedBy":"bo… | Bootstrapped prefLabel from legacy name field |
| 2,131 | bootstrap_labels | name | propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2s)- | — | Purged legacy name field to enforce prefLabel usage |
| 2,132 | bootstrap_labels | synonyms | ["organic","propanoicacid,2-hydroxy-,2-ethylhexylester,(2s)-","2-ethylhexyl-s-lactate","purasolvehl"] | [] | Removed legacy synonyms field in favor of structured labels |
| 179,486 | 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) |
| 179,487 | 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) |
| 214,049 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,584 | normalize_name_case | prefLabel | [{"@value":"propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2s)-","@language":"en","source":{"prov:wasGeneratedBy":"bo… | [{"@value":"Propanoic Acid, 2-hydroxy-, 2-ethylhexyl Ester, (2s)-","@language":"en","source":{"prov:wasGeneratedBy":"bo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,228 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,229 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,230 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.354.032B","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['186817-80-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[93026, 154073, 51381254, 70700521, 133109064]; selected_pubchem_cids=[154073]; 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 |
| 248,907 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)C(C)O'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 271,055 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexyl (2S)-2-oxidanylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=propanoicacid,2-hydroxy-,2-ethylhexylester,(2s)-||dimension=Environmental > media=Air > indoor=Unknown; cas=186817-80-1; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl (2S)-2-oxidanylpropanoate, 2-Ethylhexyl (<em>S</em>)-lactate, 2-Ethylhexyl <span class="text-smallcaps">L</span>-(+)-lactate, Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, [1(<em>S</em>)]-, Purasolv EHL; object_uuid=fo-737b733c2764193b |
| 271,056 | consensus_match | cas_match_labels | — | {"186817-80-1":"exactMatch"} | group_key=propanoicacid,2-hydroxy-,2-ethylhexylester,(2s)-||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'186817-80-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-737b733c2764193b: {'186817-80-1': 'exactMatch'} |
| 274,026 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propanoic Acid, 2-hydroxy-, 2-ethylhexyl Ester, (2s)-' |
| 280,433 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)[C@H](C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,077 | dedupe_altlabels | altLabel | [{"@value":"2-Ethylhexyl (2S)-2-oxidanylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"2-Ethylhexyl (2S)-2-oxidanylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Deduplicated altLabel values and removed entries matching prefLabel |
| 370,769 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d98bd93f-0af1-… | associations resolved on the elementary layer |
| 388,316 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | typed the way the ontology types it |
| 394,996 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 394,997 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | 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/20260821T1554374006150000/2130 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v0 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v1 |
| ef:activity/change/20260821T1554374006150000/2131 | name | ef:agent/bootstrap_labels | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v1 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v2 |
| ef:activity/change/20260821T1554374006150000/2132 | synonyms | ef:agent/bootstrap_labels | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v2 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v3 |
| ef:activity/change/20260821T1554374006150000/179486 | context | ef:agent/default_context_mapping | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v3 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v4 |
| ef:activity/change/20260821T1554374006150000/179487 | context_iri | ef:agent/default_context_mapping | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v4 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v5 |
| ef:activity/change/20260821T1554374006150000/214049 | unit_iri | ef:agent/unit_normalization | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v5 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v6 |
| ef:activity/change/20260821T1554374006150000/221584 | prefLabel | ef:agent/normalize_name_case | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v6 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v7 |
| ef:activity/change/20260821T1554374006150000/229228 | properties | ef:agent/enrich_references | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v7 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v8 |
| ef:activity/change/20260821T1554374006150000/229229 | skos_definition | ef:agent/enrich_references | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v8 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v9 |
| ef:activity/change/20260821T1554374006150000/229230 | references | ef:agent/enrich_references | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v9 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v10 |
| ef:activity/change/20260821T1554374006150000/248907 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v10 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v11 |
| ef:activity/change/20260821T1554374006150000/271055 | altLabel | ef:agent/consensus_match | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v11 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v12 |
| ef:activity/change/20260821T1554374006150000/271056 | cas_match_labels | ef:agent/consensus_match | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v12 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v13 |
| ef:activity/change/20260821T1554374006150000/274026 | properties | ef:agent/opsin_iupac | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v13 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v14 |
| ef:activity/change/20260821T1554374006150000/280433 | properties | ef:agent/rdkit_post_consensus | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v14 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v15 |
| ef:activity/change/20260821T1554374006150000/292077 | altLabel | ef:agent/dedupe_altlabels | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v15 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v16 |
| ef:activity/change/20260821T1554374006150000/370769 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v16 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v17 |
| ef:activity/change/20260821T1554374006150000/388316 | properties | ef:agent/normalise_property_values | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v17 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v18 |
| ef:activity/change/20260821T1554374006150000/394996 | types | ef:agent/link_flows_to_their_substance | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v18 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v19 |
| ef:activity/change/20260821T1554374006150000/394997 | properties | ef:agent/link_flows_to_their_substance | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v19 | ef:flow/d98bd93f-0af1-40f5-9c62-a5ec7da470e3/v20 |