Isobutyl Isobutyrate
Everything that changed this flow. Back to the flow
e2fb7a0f-6555-11dd-ad8b-0800200c9a66
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 6538' (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=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6491546a7c8dd4: {'97-85-8': '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 (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) |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 202-612-5 from CAS 97-85-8 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['97-85-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_179934']; candidate_pubchem_cids=[7351, 6101668, 74950277]; selected_pubchem_cids=[7351]; 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 |
|---|---|---|---|---|---|
| 7,643 | bootstrap_labels | prefLabel | — | [{"@value":"isobutyl isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 7,644 | bootstrap_labels | name | isobutyl isobutyrate | — | Purged legacy name field to enforce prefLabel usage |
| 7,645 | bootstrap_labels | synonyms | ["2-METHYLPROPYL ISOBUTYRATE","2-Methyl-1-propyl 2-methylpropanoate","2-Methylpropyl 2-methylpropanoate","2-Methylpropy… | [] | Removed legacy synonyms field in favor of structured labels |
| 185,756 | 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) |
| 185,757 | 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) |
| 215,891 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,877 | normalize_name_case | prefLabel | [{"@value":"isobutyl isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Isobutyl Isobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,837 | ec_cross_check | ec_numbers | [] | ["202-612-5"] | Resolved from EC-inventory: 202-612-5 from CAS 97-85-8 |
| 234,498 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,499 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 234,500 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.223I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['97-85-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_179934']; candidate_pubchem_cids=[7351, 6101668, 74950277]; selected_pubchem_cids=[7351]; 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 |
| 255,408 | chebi_altlabels | altLabel | [] | [{"@value":"2-methylpropyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,065 | consensus_match | altLabel | [{"@value":"2-methylpropyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"2-methylpropyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | group_key=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=97-85-8; added Common Chemistry CAS names as altLabel: 2-Methylpropionic acid isobutyl ester, 2-Methylpropyl 2-methylpropionate, 2-Methylpropyl isobutyrate, Isobutyl isobutanoate, Isobutyric acid, isobutyl ester, NSC 6538, Propanoic acid, 2-methyl-, 2-methylpropyl ester; object_uuid=fo-7f6491546a7c8dd4 |
| 268,066 | consensus_match | cas_match_labels | — | {"97-85-8":"exactMatch"} | group_key=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6491546a7c8dd4: {'97-85-8': 'exactMatch'} |
| 275,584 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isobutyl Isobutyrate' |
| 282,113 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CC(C)COC(=O)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,830 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methylpropyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"2-methylpropyl 2-methylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Removed 1 catalogue altLabel value(s): 'NSC 6538' (registry code) |
| 373,905 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fb7a0f-6555-… | associations resolved on the elementary layer |
| 389,902 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | typed the way the ontology types it |
| 397,278 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/7643 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/7644 | name | ef:agent/bootstrap_labels | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/7645 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/185756 | context | ef:agent/default_context_mapping | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/185757 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/215891 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/222877 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/226837 | ec_numbers | ef:agent/ec_cross_check | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/234498 | properties | ef:agent/enrich_references | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/234499 | skos_definition | ef:agent/enrich_references | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/234500 | references | ef:agent/enrich_references | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/255408 | altLabel | ef:agent/chebi_altlabels | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/268065 | altLabel | ef:agent/consensus_match | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/268066 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/275584 | properties | ef:agent/opsin_iupac | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/282113 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/288830 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/373905 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/389902 | properties | ef:agent/normalise_property_values | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/397278 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/e2fb7a0f-6555-11dd-ad8b-0800200c9a66/v20 |