1,3-dimethylbutyl Acetate
Everything that changed this flow. Back to the flow
0d44849d-03e5-4a99-a897-e75495be3334
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 567' (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=1,3-dimethylbutylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19e4c3b71b6556b5: {'108-84-9': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['108-84-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7959, 110740, 76955875]; selected_pubchem_cids=[7959]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,452 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-dimethylbutyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 11,453 | bootstrap_labels | name | 1,3-dimethylbutyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 11,454 | bootstrap_labels | synonyms | ["1,3-Dimethylbutyl ethanoate","1,3-Dimethylbutylester kyseliny octove","2-Pentanol, 4-methyl-, 2-acetate","2-Pentanol,… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,280 | 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 |
| 44,281 | 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 |
| 217,136 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,765 | normalize_name_case | prefLabel | [{"@value":"1,3-dimethylbutyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"1,3-dimethylbutyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,074 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,075 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,076 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.640J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['108-84-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7959, 110740, 76955875]; selected_pubchem_cids=[7959]; 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 |
| 251,447 | rdkit_pre_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_pre_consensus from 'CC(C)CC(C)OC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 258,586 | consensus_match | altLabel | [] | [{"@value":"2-Pentanol, 4-methyl-, 2-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=1,3-dimethylbutylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=108-84-9; added Common Chemistry CAS names as altLabel: 2-Pentanol, 4-methyl-, 2-acetate, 2-Pentanol, 4-methyl-, acetate, 4-Methyl-2-pentanol acetate, 4-Methyl-2-pentyl acetate, 4-Methylpent-2-yl ethanoate, Acetic acid 1,3-dimethylbutyl ester, MAAc, Methylisobutylcarbinol acetate, NSC 567; object_uuid=fo-19e4c3b71b6556b5 |
| 258,587 | consensus_match | cas_match_labels | — | {"108-84-9":"exactMatch"} | group_key=1,3-dimethylbutylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19e4c3b71b6556b5: {'108-84-9': 'exactMatch'} |
| 276,623 | 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 '1,3-dimethylbutyl Acetate' |
| 283,245 | 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(=O)OC(C)CC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,611 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Pentanol, 4-methyl-, 2-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"2-Pentanol, 4-methyl-, 2-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 567' (registry code) |
| 303,159 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d44849d-03e5-… | associations resolved on the elementary layer |
| 390,974 | 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 |
| 398,820 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T1812399309960000/11452 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v0 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v1 |
| ef:activity/change/20260820T1812399309960000/11453 | name | ef:agent/bootstrap_labels | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v1 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v2 |
| ef:activity/change/20260820T1812399309960000/11454 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v2 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v3 |
| ef:activity/change/20260820T1812399309960000/44280 | context | ef:agent/default_context_mapping | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v3 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v4 |
| ef:activity/change/20260820T1812399309960000/44281 | context_iri | ef:agent/default_context_mapping | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v4 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v5 |
| ef:activity/change/20260820T1812399309960000/217136 | unit_iri | ef:agent/unit_normalization | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v5 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v6 |
| ef:activity/change/20260820T1812399309960000/223765 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v6 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v7 |
| ef:activity/change/20260820T1812399309960000/238074 | properties | ef:agent/enrich_references | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v7 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v8 |
| ef:activity/change/20260820T1812399309960000/238075 | skos_definition | ef:agent/enrich_references | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v8 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v9 |
| ef:activity/change/20260820T1812399309960000/238076 | references | ef:agent/enrich_references | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v9 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v10 |
| ef:activity/change/20260820T1812399309960000/251447 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v10 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v11 |
| ef:activity/change/20260820T1812399309960000/258586 | altLabel | ef:agent/consensus_match | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v11 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v12 |
| ef:activity/change/20260820T1812399309960000/258587 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v12 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v13 |
| ef:activity/change/20260820T1812399309960000/276623 | properties | ef:agent/opsin_iupac | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v13 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v14 |
| ef:activity/change/20260820T1812399309960000/283245 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v14 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v15 |
| ef:activity/change/20260820T1812399309960000/289611 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v15 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v16 |
| ef:activity/change/20260820T1812399309960000/303159 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v16 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v17 |
| ef:activity/change/20260820T1812399309960000/390974 | properties | ef:agent/normalise_property_values | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v17 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v18 |
| ef:activity/change/20260820T1812399309960000/398820 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v18 | ef:flow/0d44849d-03e5-4a99-a897-e75495be3334/v19 |