2-ethylhexyl 2-hydroxypropanoate
Everything that changed this flow. Back to the flow
3ab2f77a-e527-485a-94bf-58ba23b5d116
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 7737' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6283-86-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-412602729b8a5e4d: {'6283-86-9': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6283-86-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[93026, 225043]; selected_pubchem_cids=[93026]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,486 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexyl 2-hydroxypropanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 2,487 | bootstrap_labels | name | 2-ethylhexyl 2-hydroxypropanoate | — | Purged legacy name field to enforce prefLabel usage |
| 2,488 | bootstrap_labels | synonyms | ["organic","2-ethylhexyllactate","purasolvehl"] | [] | Removed legacy synonyms field in favor of structured labels |
| 75,476 | 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 |
| 75,477 | 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 |
| 214,168 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,571 | 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) |
| 229,572 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,573 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J206.843E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['6283-86-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[93026, 225043]; selected_pubchem_cids=[93026]; 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 |
| 249,006 | 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: molecular_mass, monoisotopic_mass |
| 260,824 | consensus_match | altLabel | [] | [{"@value":"2-Ethyl-1-hexanol lactate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=2-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=6283-86-9; added Common Chemistry CAS names as altLabel: 2-Ethyl-1-hexanol lactate, 2-Ethyl-1-hexyl 2-hydroxypropanoate, 2-Ethylhexyl lactate, Lactic acid, 2-ethylhexyl ester, NSC 7737, Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester; object_uuid=fo-412602729b8a5e4d |
| 260,825 | consensus_match | cas_match_labels | — | {"6283-86-9":"exactMatch"} | group_key=2-ethylhexyl2-hydroxypropanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6283-86-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-412602729b8a5e4d: {'6283-86-9': 'exactMatch'} |
| 274,124 | 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 '2-ethylhexyl 2-hydroxypropanoate' |
| 280,541 | 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(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,742 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethyl-1-hexanol lactate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"2-Ethyl-1-hexanol lactate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 7737' (registry code) |
| 318,751 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ab2f77a-e527-… | associations resolved on the elementary layer |
| 388,418 | 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 |
| 395,143 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1122181958110000/2486 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v0 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v1 |
| ef:activity/change/20260821T1122181958110000/2487 | name | ef:agent/bootstrap_labels | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v1 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v2 |
| ef:activity/change/20260821T1122181958110000/2488 | synonyms | ef:agent/bootstrap_labels | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v2 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v3 |
| ef:activity/change/20260821T1122181958110000/75476 | context | ef:agent/default_context_mapping | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v3 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v4 |
| ef:activity/change/20260821T1122181958110000/75477 | context_iri | ef:agent/default_context_mapping | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v4 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v5 |
| ef:activity/change/20260821T1122181958110000/214168 | unit_iri | ef:agent/unit_normalization | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v5 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v6 |
| ef:activity/change/20260821T1122181958110000/229571 | properties | ef:agent/enrich_references | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v6 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v7 |
| ef:activity/change/20260821T1122181958110000/229572 | skos_definition | ef:agent/enrich_references | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v7 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v8 |
| ef:activity/change/20260821T1122181958110000/229573 | references | ef:agent/enrich_references | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v8 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v9 |
| ef:activity/change/20260821T1122181958110000/249006 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v9 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v10 |
| ef:activity/change/20260821T1122181958110000/260824 | altLabel | ef:agent/consensus_match | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v10 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v11 |
| ef:activity/change/20260821T1122181958110000/260825 | cas_match_labels | ef:agent/consensus_match | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v11 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v12 |
| ef:activity/change/20260821T1122181958110000/274124 | properties | ef:agent/opsin_iupac | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v12 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v13 |
| ef:activity/change/20260821T1122181958110000/280541 | properties | ef:agent/rdkit_post_consensus | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v13 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v14 |
| ef:activity/change/20260821T1122181958110000/287742 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v14 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v15 |
| ef:activity/change/20260821T1122181958110000/318751 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v15 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v16 |
| ef:activity/change/20260821T1122181958110000/388418 | properties | ef:agent/normalise_property_values | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v16 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v17 |
| ef:activity/change/20260821T1122181958110000/395143 | types | ef:agent/link_flows_to_their_substance | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v17 | ef:flow/3ab2f77a-e527-485a-94bf-58ba23b5d116/v18 |