3-methoxybutyl Acetate
Everything that changed this flow. Back to the flow
aeebcdc8-ebba-463d-8283-75434fbbdb78
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 15638' (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=3-methoxybutylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4435-53-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb2c7f6e636e13eb: {'4435-53-4': '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 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) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4435-53-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[20498, 21976248, 85824270]; selected_pubchem_cids=[20498]; 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 |
|---|---|---|---|---|---|
| 14,466 | bootstrap_labels | prefLabel | — | [{"@value":"3-methoxybutyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 14,467 | bootstrap_labels | name | 3-methoxybutyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 14,468 | bootstrap_labels | synonyms | ["organic","3-methoxybutylacetate","3-methoxy-n-butylacetat","butoxylâ®","essigsã¤ure-(3-methoxy-n-butyl-)ester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 153,810 | 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) |
| 153,811 | 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) |
| 218,114 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,437 | normalize_name_case | prefLabel | [{"@value":"3-methoxybutyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"3-methoxybutyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,877 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,878 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,879 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.717F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['4435-53-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[20498, 21976248, 85824270]; selected_pubchem_cids=[20498]; 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 |
| 252,262 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | rdkit_pre_consensus from 'CC(CCOC(=O)C)OC'; added: molecular_mass, monoisotopic_mass |
| 262,069 | consensus_match | altLabel | [] | [{"@value":"1-Butanol, 3-methoxy-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=3-methoxybutylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=4435-53-4; added Common Chemistry CAS names as altLabel: 1-Butanol, 3-methoxy-, 1-acetate, 1-Butanol, 3-methoxy-, acetate, 3-Methoxy-1-butanol acetate, 3-Methoxy-1-butyl acetate, 3-Methoxy-<em>n</em>-butyl acetate, Acetic acid 3-methoxybutyl ester, Butoxyl, MBA, NSC 15638; object_uuid=fo-bb2c7f6e636e13eb |
| 262,070 | consensus_match | cas_match_labels | — | {"4435-53-4":"exactMatch"} | group_key=3-methoxybutylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4435-53-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb2c7f6e636e13eb: {'4435-53-4': 'exactMatch'} |
| 277,456 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-methoxybutyl Acetate' |
| 284,142 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | rdkit_post_consensus from 'COC(C)CCOC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,219 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Butanol, 3-methoxy-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"1-Butanol, 3-methoxy-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 15638' (registry code) |
| 357,928 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aeebcdc8-ebba-… | associations resolved on the elementary layer |
| 391,809 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | typed the way the ontology types it |
| 400,005 | 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/20260821T1302361922970000/14466 | prefLabel | ef:agent/bootstrap_labels | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v0 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v1 |
| ef:activity/change/20260821T1302361922970000/14467 | name | ef:agent/bootstrap_labels | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v1 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v2 |
| ef:activity/change/20260821T1302361922970000/14468 | synonyms | ef:agent/bootstrap_labels | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v2 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v3 |
| ef:activity/change/20260821T1302361922970000/153810 | context | ef:agent/default_context_mapping | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v3 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v4 |
| ef:activity/change/20260821T1302361922970000/153811 | context_iri | ef:agent/default_context_mapping | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v4 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v5 |
| ef:activity/change/20260821T1302361922970000/218114 | unit_iri | ef:agent/unit_normalization | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v5 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v6 |
| ef:activity/change/20260821T1302361922970000/224437 | prefLabel | ef:agent/normalize_name_case | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v6 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v7 |
| ef:activity/change/20260821T1302361922970000/240877 | properties | ef:agent/enrich_references | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v7 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v8 |
| ef:activity/change/20260821T1302361922970000/240878 | skos_definition | ef:agent/enrich_references | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v8 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v9 |
| ef:activity/change/20260821T1302361922970000/240879 | references | ef:agent/enrich_references | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v9 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v10 |
| ef:activity/change/20260821T1302361922970000/252262 | properties | ef:agent/rdkit_pre_consensus | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v10 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v11 |
| ef:activity/change/20260821T1302361922970000/262069 | altLabel | ef:agent/consensus_match | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v11 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v12 |
| ef:activity/change/20260821T1302361922970000/262070 | cas_match_labels | ef:agent/consensus_match | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v12 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v13 |
| ef:activity/change/20260821T1302361922970000/277456 | properties | ef:agent/opsin_iupac | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v13 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v14 |
| ef:activity/change/20260821T1302361922970000/284142 | properties | ef:agent/rdkit_post_consensus | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v14 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v15 |
| ef:activity/change/20260821T1302361922970000/290219 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v15 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v16 |
| ef:activity/change/20260821T1302361922970000/357928 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v16 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v17 |
| ef:activity/change/20260821T1302361922970000/391809 | properties | ef:agent/normalise_property_values | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v17 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v18 |
| ef:activity/change/20260821T1302361922970000/400005 | types | ef:agent/link_flows_to_their_substance | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v18 | ef:flow/aeebcdc8-ebba-463d-8283-75434fbbdb78/v19 |