3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate
Everything that changed this flow. Back to the flow
4d900ab9-cab4-48ca-9e80-b005d33f636c
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): 'Ester Diol 204' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1115-20-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eaac5a7b5444d875: {'1115-20-4': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['1115-20-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[14218, 21701010]; selected_pubchem_cids=[14218]; 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 |
|---|---|---|---|---|---|
| 361 | bootstrap_labels | prefLabel | — | [{"@value":"3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 362 | bootstrap_labels | name | 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate | — | Purged legacy name field to enforce prefLabel usage |
| 22,453 | bootstrap_labels | synonyms | ["3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate","propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 87,264 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 87,265 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,459 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,515 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,516 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,517 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J56.044H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1115-20-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[14218, 21701010]; selected_pubchem_cids=[14218]; 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 |
| 248,412 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | rdkit_pre_consensus from 'CC(C)(CO)COC(=O)C(C)(C)CO'; added: molecular_mass, monoisotopic_mass |
| 262,028 | consensus_match | altLabel | [] | [{"@value":"(3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate","@language":"en","source":{"prov:wasGenera… | group_key=3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1115-20-4; added Common Chemistry CAS names as altLabel: (3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate, 1,3-Propanediol, 2,2-dimethyl-, mono(2,2-dimethylhydracrylate), 2,2-Dimethyl-1,3-propanediol mono(hydroxypivalate), 2,2-Dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate, 2,2-Dimethyl-3-hydroxypropyl α,α-dimethyl-β-hydroxypropionate, 3-(Hydroxypivaloyloxy)-2,2-dimethylpropanol, 3-Hydroxy-2,2-dimethylpropyl 2,2-dimethylhydracrylate, 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, 3-Hydroxy-2,2-dimethylpropyl hydroxypivalate, Ester Diol 204, Hydracrylic acid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester, Hydroxyneopentyl hydroxypivalate, Hydroxypivalic acid neopentyl glycol ester, Hydroxypivalyl hydroxypivalate, Neopentyl glycol hydroxypivalate monoester, Neopentyl glycol monohydroxypivalate, Neopentylglycol hydroxypivalic ester, Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester; object_uuid=fo-eaac5a7b5444d875 |
| 262,029 | consensus_match | cas_match_labels | — | {"1115-20-4":"exactMatch"} | group_key=3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1115-20-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eaac5a7b5444d875: {'1115-20-4': 'exactMatch'} |
| 273,553 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate' |
| 279,910 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | rdkit_post_consensus from 'CC(C)(CO)COC(=O)C(C)(C)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,339 | strip_catalogue_altlabels | altLabel | [{"@value":"(3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate","@language":"en","source":{"prov:wasGenera… | [{"@value":"(3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate","@language":"en","source":{"prov:wasGenera… | Removed 1 catalogue altLabel value(s): 'Ester Diol 204' (trade name) |
| 324,668 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d900ab9-cab4-… | associations resolved on the elementary layer |
| 387,831 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | typed the way the ontology types it |
| 394,324 | 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/20260820T0738569779880000/361 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v0 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v1 |
| ef:activity/change/20260820T0738569779880000/362 | name | ef:agent/bootstrap_labels | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v1 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v2 |
| ef:activity/change/20260820T0738569779880000/22453 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v2 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v3 |
| ef:activity/change/20260820T0738569779880000/87264 | context | ef:agent/default_context_mapping | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v3 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v4 |
| ef:activity/change/20260820T0738569779880000/87265 | context_iri | ef:agent/default_context_mapping | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v4 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v5 |
| ef:activity/change/20260820T0738569779880000/213459 | unit_iri | ef:agent/unit_normalization | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v5 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v6 |
| ef:activity/change/20260820T0738569779880000/227515 | properties | ef:agent/enrich_references | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v6 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v7 |
| ef:activity/change/20260820T0738569779880000/227516 | skos_definition | ef:agent/enrich_references | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v7 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v8 |
| ef:activity/change/20260820T0738569779880000/227517 | references | ef:agent/enrich_references | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v8 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v9 |
| ef:activity/change/20260820T0738569779880000/248412 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v9 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v10 |
| ef:activity/change/20260820T0738569779880000/262028 | altLabel | ef:agent/consensus_match | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v10 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v11 |
| ef:activity/change/20260820T0738569779880000/262029 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v11 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v12 |
| ef:activity/change/20260820T0738569779880000/273553 | properties | ef:agent/opsin_iupac | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v12 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v13 |
| ef:activity/change/20260820T0738569779880000/279910 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v13 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v14 |
| ef:activity/change/20260820T0738569779880000/287339 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v14 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v15 |
| ef:activity/change/20260820T0738569779880000/324668 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v15 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v16 |
| ef:activity/change/20260820T0738569779880000/387831 | properties | ef:agent/normalise_property_values | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v16 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v17 |
| ef:activity/change/20260820T0738569779880000/394324 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v17 | ef:flow/4d900ab9-cab4-48ca-9e80-b005d33f636c/v18 |