3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate
Everything that changed this flow. Back to the flow
60492744-50bc-43a5-b5c8-88f5dc4a94df
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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): 'Cosmol 525' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl2-ethylheptanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'28510-23-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-184838505932bba7: {'28510-23-8': '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 |
| 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 |
| 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=['28510-23-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[34260]; selected_pubchem_cids=[34260]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,711 | bootstrap_labels | prefLabel | — | [{"@value":"3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 14,712 | bootstrap_labels | name | 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate | — | Purged legacy name field to enforce prefLabel usage |
| 14,713 | bootstrap_labels | synonyms | ["organic","2,2-dimethylpropane-1,3-diyl2-ethylhexanoate","dubdonpg","salacos525"] | [] | Removed legacy synonyms field in favor of structured labels |
| 106,988 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 106,989 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 218,190 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,097 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,098 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,099 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.728E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['28510-23-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[34260]; selected_pubchem_cids=[34260]; 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 |
| 252,324 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC'; added: molecular_mass, monoisotopic_mass |
| 261,846 | consensus_match | altLabel | [] | [{"@value":"1,3-Propanediol, 2,2-dimethyl-, bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"co… | group_key=3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl2-ethylheptanoate||dimension=Environmental > media=Air > strata=Unknown; cas=28510-23-8; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2,2-dimethyl-, bis(2-ethylhexanoate), Cosmol 525, Hexanoic acid, 2-ethyl-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, Hexanoic acid, 2-ethyl-, 2,2-dimethyl-1,3-propanediyl ester, Hexanoic acid, 2-ethyl-, 2,2-dimethyltrimethylene ester, KAK-NDO, Neopentyl glycol bis(2-ethylhexanoate), Neopentyl glycol diethylhexanoate, Neopentylglycol di-2-ethylhexanoate, Nissan Unister H 208BRS, Pelemol NGDO, Schercemol NGDO, Unister H 208BRS; object_uuid=fo-184838505932bba7 |
| 261,847 | consensus_match | cas_match_labels | — | {"28510-23-8":"exactMatch"} | group_key=3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl2-ethylheptanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'28510-23-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-184838505932bba7: {'28510-23-8': 'exactMatch'} |
| 284,210 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | rdkit_post_consensus from 'CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,270 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Propanediol, 2,2-dimethyl-, bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"co… | [{"@value":"1,3-Propanediol, 2,2-dimethyl-, bis(2-ethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"co… | Removed 1 catalogue altLabel value(s): 'Cosmol 525' (trade name) |
| 334,492 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/60492744-50bc-… | associations resolved on the elementary layer |
| 391,874 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | typed the way the ontology types it |
| 400,102 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/14711 | prefLabel | ef:agent/bootstrap_labels | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v0 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v1 |
| ef:activity/change/20260821T1302361922970000/14712 | name | ef:agent/bootstrap_labels | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v1 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v2 |
| ef:activity/change/20260821T1302361922970000/14713 | synonyms | ef:agent/bootstrap_labels | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v2 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v3 |
| ef:activity/change/20260821T1302361922970000/106988 | context | ef:agent/default_context_mapping | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v3 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v4 |
| ef:activity/change/20260821T1302361922970000/106989 | context_iri | ef:agent/default_context_mapping | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v4 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v5 |
| ef:activity/change/20260821T1302361922970000/218190 | unit_iri | ef:agent/unit_normalization | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v5 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v6 |
| ef:activity/change/20260821T1302361922970000/241097 | properties | ef:agent/enrich_references | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v6 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v7 |
| ef:activity/change/20260821T1302361922970000/241098 | skos_definition | ef:agent/enrich_references | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v7 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v8 |
| ef:activity/change/20260821T1302361922970000/241099 | references | ef:agent/enrich_references | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v8 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v9 |
| ef:activity/change/20260821T1302361922970000/252324 | properties | ef:agent/rdkit_pre_consensus | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v9 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v10 |
| ef:activity/change/20260821T1302361922970000/261846 | altLabel | ef:agent/consensus_match | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v10 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v11 |
| ef:activity/change/20260821T1302361922970000/261847 | cas_match_labels | ef:agent/consensus_match | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v11 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v12 |
| ef:activity/change/20260821T1302361922970000/284210 | properties | ef:agent/rdkit_post_consensus | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v12 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v13 |
| ef:activity/change/20260821T1302361922970000/290270 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v13 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v14 |
| ef:activity/change/20260821T1302361922970000/334492 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v14 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v15 |
| ef:activity/change/20260821T1302361922970000/391874 | properties | ef:agent/normalise_property_values | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v15 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v16 |
| ef:activity/change/20260821T1302361922970000/400102 | types | ef:agent/link_flows_to_their_substance | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v16 | ef:flow/60492744-50bc-43a5-b5c8-88f5dc4a94df/v17 |