Butanoic Acid, 3-oxo-, 1,1-dimethylethyl Ester
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-d6fbad27f1bd8104
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 716 | bootstrap_labels | prefLabel | — | [{"@value":"butanoic acid, 3-oxo-, 1,1-dimethylethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Bootstrapped prefLabel from legacy name field |
| 717 | bootstrap_labels | name | butanoic acid, 3-oxo-, 1,1-dimethylethyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 718 | bootstrap_labels | synonyms | ["organic","3,3-dimethylbutyrylchloride","butanoicacid,3-oxo-,1,1-dimethylethylester","eastmanâ?¢tbaa","tert-butyl3-oxo… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,387 | 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 |
| 26,388 | 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 |
| 68,243 | 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 |
| 68,244 | 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 |
| 74,855 | 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 |
| 74,856 | 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 |
| 80,751 | 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 |
| 80,752 | 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 |
| 86,799 | 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 |
| 86,800 | 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 |
| 103,359 | 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) |
| 103,360 | 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) |
| 112,301 | 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 |
| 112,302 | 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 |
| 125,745 | 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 |
| 125,746 | 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 |
| 136,585 | 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 |
| 136,586 | 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 |
| 152,869 | 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 |
| 152,870 | 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 |
| 170,899 | 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) |
| 170,900 | 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) |
| 175,191 | 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 |
| 175,192 | 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 |
| 199,221 | 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 |
| 199,222 | 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 |
| 213,576 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,264 | normalize_name_case | prefLabel | [{"@value":"butanoic acid, 3-oxo-, 1,1-dimethylethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | [{"@value":"Butanoic Acid, 3-oxo-, 1,1-dimethylethyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,855 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,856 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,857 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J100.916H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1694-31-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[15538]; selected_pubchem_cids=[15538]; 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 |
| 248,511 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | rdkit_pre_consensus from 'CC(=O)CC(=O)OC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 264,569 | consensus_match | altLabel | [] | [{"@value":"1,1-Dimethylethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=butanoicacid,3-oxo-,1,1-dimethylethylester||dimension=Environmental > media=Water > water_body=Ocean; cas=1694-31-1; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethyl acetoacetate, 3-Oxobutanoic acid 1,1-dimethylethyl ester, 3-Oxobutyric acid <em>tert</em>-butyl ester, <em>tert</em>-Butyl 3-oxobutanoate, <em>tert</em>-Butyl 3-oxobutyrate, <em>tert</em>-Butyl acetoacetate, <em>tert</em>-Butyl acetylacetate, <em>tert</em>-Butyl acetylacetonate, Acetoacetic acid, <em>tert</em>-butyl ester, Lonza TBAA, NSC 42869; object_uuid=fo-d6fbad27f1bd8104 |
| 264,570 | consensus_match | cas_match_labels | — | {"1694-31-1":"exactMatch"} | group_key=butanoicacid,3-oxo-,1,1-dimethylethylester||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1694-31-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6fbad27f1bd8104: {'1694-31-1': 'exactMatch'} |
| 273,636 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butanoic Acid, 3-oxo-, 1,1-dimethylethyl Ester' |
| 280,003 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | rdkit_post_consensus from 'CC(=O)CC(=O)OC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,406 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1-Dimethylethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"1,1-Dimethylethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 1 catalogue altLabel value(s): 'NSC 42869' (registry code) |
| 294,276 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/00c3d597-84d3-… | associations resolved on the elementary layer |
| 315,177 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f8c652e-f534-… | associations resolved on the elementary layer |
| 318,481 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/39a5ea22-20d4-… | associations resolved on the elementary layer |
| 321,426 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/422e728d-a701-… | associations resolved on the elementary layer |
| 324,452 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4cd2165d-6c60-… | associations resolved on the elementary layer |
| 332,713 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a225d65-ed5d-… | associations resolved on the elementary layer |
| 337,185 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68ef6979-09a3-… | associations resolved on the elementary layer |
| 343,909 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7fb656c0-b270-… | associations resolved on the elementary layer |
| 349,323 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/92295ef9-000a-… | associations resolved on the elementary layer |
| 357,488 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ad2c7557-1bd3-… | associations resolved on the elementary layer |