Butanoic Acid, 2-methyl-, Ethyl Ester
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-3997bff3fd7220b1
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,825 | bootstrap_labels | prefLabel | — | [{"@value":"butanoic acid, 2-methyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 5,826 | bootstrap_labels | name | butanoic acid, 2-methyl-, ethyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 5,827 | bootstrap_labels | synonyms | ["organic","ethyl2-methylbutyrate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 31,043 | 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) |
| 31,044 | 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) |
| 61,597 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 61,598 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 64,545 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 64,546 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 68,801 | 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 |
| 68,802 | 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 |
| 76,027 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 76,028 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 83,623 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 83,624 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 101,581 | 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 |
| 101,582 | 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 |
| 129,389 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 129,390 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 152,283 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 152,284 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 164,899 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 164,900 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 180,919 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 180,920 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 186,623 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 186,624 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 199,407 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 199,408 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,287 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,443 | normalize_name_case | prefLabel | [{"@value":"butanoic acid, 2-methyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"Butanoic Acid, 2-methyl-, Ethyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,789 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,790 | enrich_references | skos_definition | — | [{"@value":"A fatty acid ethyl ester obtained by the formal condensation of 2-methylbutyric acid with ethanol. It is a… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,791 | enrich_references | references | [] | [{"@id":"foodb.food:FDB011877","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['7452-79-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88452']; candidate_pubchem_cids=[24020, 7156991, 73409638]; selected_pubchem_cids=[24020]; 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 |
| 255,120 | chebi_altlabels | altLabel | [] | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,569 | consensus_match | altLabel | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Long-term; cas=7452-79-1; added Common Chemistry CAS names as altLabel: (±)-Ethyl 2-methylbutanoate, 2-Methylbutyric acid ethyl ester, Ethyl 2-methylbutyrate, Ethyl α-methylbutyrate, NSC 1103; object_uuid=fo-3997bff3fd7220b1 |
| 264,570 | consensus_match | cas_match_labels | — | {"7452-79-1":"exactMatch"} | group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7452-79-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3997bff3fd7220b1: {'7452-79-1': 'exactMatch'} |
| 275,073 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butanoic Acid, 2-methyl-, Ethyl Ester' |
| 281,566 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | rdkit_post_consensus from 'CCOC(=O)C(C)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,455 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Removed 1 catalogue altLabel value(s): 'NSC 1103' (registry code) |
| 296,601 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/073fae84-b941-… | associations resolved on the elementary layer |
| 311,858 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/25e3284b-0089-… | associations resolved on the elementary layer |
| 313,331 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/29428e49-fcc0-… | associations resolved on the elementary layer |
| 315,458 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3080b908-c167-… | associations resolved on the elementary layer |
| 319,068 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b9c4367-eced-… | associations resolved on the elementary layer |
| 322,865 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47296570-1307-… | associations resolved on the elementary layer |
| 331,826 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/572d5f37-722d-… | associations resolved on the elementary layer |
| 345,732 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/85ceb589-332b-… | associations resolved on the elementary layer |
| 357,197 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ac3ee752-ad6f-… | associations resolved on the elementary layer |
| 363,507 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c2608b3a-ee09-… | associations resolved on the elementary layer |