Diethyl Adipate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-f9720438d71fc613
Changes
57| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,018 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 11,019 | bootstrap_labels | name | diethyl adipate | — | Purged legacy name field to enforce prefLabel usage |
| 11,020 | bootstrap_labels | synonyms | ["(C18-C28) Alcohol ester of adipic acid","(C8-C26) Alkylalcohol adipate diester","1,6-Diethyl hexanedioate","A0162","A… | [] | Removed legacy synonyms field in favor of structured labels |
| 21,020 | bootstrap_labels | synonyms | ["diethyladipate","1,6-diethylhexanedioate","diethylhexanedioate","(C18-C28) Alcohol ester of adipic acid","(C8-C26) Al… | [] | Removed legacy synonyms field in favor of structured labels |
| 43,772 | 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 |
| 43,773 | 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 |
| 71,856 | 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 |
| 71,857 | 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 |
| 72,458 | 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) |
| 72,459 | 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) |
| 117,890 | 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 |
| 117,891 | 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 |
| 119,294 | 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 |
| 119,295 | 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 |
| 122,436 | 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 |
| 122,437 | 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 |
| 123,426 | 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 |
| 123,427 | 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 |
| 131,734 | 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 |
| 131,735 | 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 |
| 133,058 | 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 |
| 133,059 | 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 |
| 173,604 | 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 |
| 173,605 | 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 |
| 181,586 | 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) |
| 181,587 | 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) |
| 194,236 | 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 |
| 194,237 | 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 |
| 197,204 | 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 |
| 197,205 | 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 |
| 216,993 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,665 | normalize_name_case | prefLabel | [{"@value":"diethyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Diethyl Adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,668 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,669 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,670 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.805J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['141-28-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34697']; candidate_pubchem_cids=[5416, 8844, 12201]; selected_pubchem_cids=[8844]; 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 |
| 251,328 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | rdkit_pre_consensus from 'CCOC(=O)CCCCC(=O)OCC'; added: monoisotopic_mass |
| 255,927 | chebi_altlabels | altLabel | [] | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,886 | consensus_match | altLabel | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=diethyladipate||dimension=Environmental > media=Water > water_body=Surface water; cas=141-28-6; added Common Chemistry CAS names as altLabel: 1,6-Diethyl hexanedioate, Adipic acid, diethyl ester, Crodamol SE-LQ-(JP), Ethyl adipate, Ethyl δ-carboethoxyvalerate, Hexanedioic acid, 1,6-diethyl ester, Hexanedioic acid, diethyl ester, NSC 19160, NSC 3363; object_uuid=fo-f9720438d71fc613 |
| 265,887 | consensus_match | cas_match_labels | — | {"141-28-6":"exactMatch"} | group_key=diethyladipate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9720438d71fc613: {'141-28-6': 'exactMatch'} |
| 276,510 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Adipate' |
| 283,122 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | rdkit_post_consensus from 'CCOC(=O)CCCCC(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,544 | strip_catalogue_altlabels | altLabel | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 2 catalogue altLabel value(s): 'NSC 19160' (registry code), 'NSC 3363' (registry code) |
| 302,912 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0c5affa2-d565-… | associations resolved on the elementary layer |
| 316,945 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3485c8c2-4a09-… | associations resolved on the elementary layer |
| 317,246 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/357eac2d-a0fd-… | associations resolved on the elementary layer |
| 339,943 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/726e3a77-a5c1-… | associations resolved on the elementary layer |
| 340,645 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/74bdc304-1ffe-… | associations resolved on the elementary layer |
| 342,216 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7a38e602-3f95-… | associations resolved on the elementary layer |
| 342,711 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7bf9b0ce-5000-… | associations resolved on the elementary layer |
| 346,867 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8a060648-f7f9-… | associations resolved on the elementary layer |