Ethyl Acetoacetate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-7e288677e7e1ca2c
Changes
57| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,828 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 4,829 | bootstrap_labels | name | ethyl acetoacetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,830 | bootstrap_labels | synonyms | ["1-Ethoxybutane-1,3-dione","3-Oxo-butyric acid ethyl ester","3-Oxobutyric Acid Ethyl Ester","3-oxobutanoic acid ethyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 24,238 | bootstrap_labels | synonyms | ["ethylacetoacetate","ethyl acetoacetate","acetoacetic ester","butanoic acid, 3-oxo-, ethyl ester","ethyl 3-oxobutanoat… | [] | Removed legacy synonyms field in favor of structured labels |
| 30,208 | 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 |
| 30,209 | 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 |
| 41,738 | 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 |
| 41,739 | 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 |
| 45,656 | 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 |
| 45,657 | 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 |
| 74,194 | 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) |
| 74,195 | 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) |
| 131,498 | 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 |
| 131,499 | 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 |
| 135,720 | 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 |
| 135,721 | 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 |
| 138,912 | 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 |
| 138,913 | 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 |
| 140,586 | 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 |
| 140,587 | 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 |
| 149,208 | 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 |
| 149,209 | 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 |
| 186,496 | 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 |
| 186,497 | 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 |
| 187,368 | 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) |
| 187,369 | 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) |
| 191,988 | 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 |
| 191,989 | 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 |
| 193,050 | 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 |
| 193,051 | 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 |
| 214,952 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,206 | normalize_name_case | prefLabel | [{"@value":"ethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Ethyl Acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,821 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,822 | enrich_references | skos_definition | — | [{"@value":"An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,823 | enrich_references | references | [] | [{"@id":"foodb.food:FDB003241","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['141-97-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4893']; candidate_pubchem_cids=[8868, 283611, 21924280, 170923257]; selected_pubchem_cids=[8868]; 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 |
| 249,649 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | rdkit_pre_consensus from 'CCOC(=O)CC(=O)C'; added: monoisotopic_mass |
| 254,990 | chebi_altlabels | altLabel | [] | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,865 | consensus_match | altLabel | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=141-97-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, ethyl ester, Acetylacetic acid ethyl ester, Butanoic acid, 3-oxo-, ethyl ester, EAA, Ethyl 2-acetoacetate, Ethyl 2-methyl-3-oxopropionate, Ethyl 3-ketobutyrate, Ethyl acetonecarboxylate, NSC 37390, NSC 8657; object_uuid=fo-7e288677e7e1ca2c |
| 266,866 | consensus_match | cas_match_labels | — | {"141-97-9":"exactMatch"} | group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e288677e7e1ca2c: {'141-97-9': 'exactMatch'} |
| 274,782 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl Acetoacetate' |
| 281,252 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | rdkit_post_consensus from 'CCOC(=O)CC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,247 | strip_catalogue_altlabels | altLabel | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 2 catalogue altLabel value(s): 'NSC 37390' (registry code), 'NSC 8657' (registry code) |
| 296,143 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/05d128bf-b636-… | associations resolved on the elementary layer |
| 301,894 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08c231de-43d4-… | associations resolved on the elementary layer |
| 303,854 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0dff5e9c-39e0-… | associations resolved on the elementary layer |
| 318,113 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/38860ad7-64e8-… | associations resolved on the elementary layer |
| 346,749 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8989d712-980a-… | associations resolved on the elementary layer |
| 348,856 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/909fcb8f-0f38-… | associations resolved on the elementary layer |
| 350,457 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/960d7d51-23fd-… | associations resolved on the elementary layer |
| 351,294 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/98e376a9-8b30-… | associations resolved on the elementary layer |