Ethyl Hexanoate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-070d0a883debccc8
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,949 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 16,950 | bootstrap_labels | name | ethyl hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 16,951 | bootstrap_labels | synonyms | ["AC1L1L9S","Acetic acid, butyl-, ethyl ester","CPD-10093","Caproic acid ethyl ester","Caproic acid ethylester","Capron… | [] | Removed legacy synonyms field in favor of structured labels |
| 24,468 | bootstrap_labels | synonyms | ["ethylhexanoate","hexanoateethyle","hexanoicacid,ethylester","AC1L1L9S","Acetic acid, butyl-, ethyl ester","CPD-10093"… | [] | Removed legacy synonyms field in favor of structured labels |
| 54,965 | 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 |
| 54,966 | 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 |
| 62,427 | 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 |
| 62,428 | 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 |
| 63,387 | 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 |
| 63,388 | 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 |
| 73,051 | 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) |
| 73,052 | 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) |
| 115,427 | 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 |
| 115,428 | 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 |
| 142,011 | 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 |
| 142,012 | 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 |
| 152,881 | 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 |
| 152,882 | 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 |
| 157,401 | 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 |
| 157,402 | 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 |
| 165,625 | 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 |
| 165,626 | 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 |
| 171,917 | 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 |
| 171,918 | 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 |
| 173,571 | 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 |
| 173,572 | 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 |
| 182,667 | 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) |
| 182,668 | 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) |
| 201,069 | 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 |
| 201,070 | 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 |
| 218,901 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,972 | normalize_name_case | prefLabel | [{"@value":"ethyl hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Ethyl Hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,106 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,107 | enrich_references | skos_definition | — | [{"@value":"A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.","@language":"e… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,108 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.500C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['123-66-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86055']; candidate_pubchem_cids=[1265, 31265, 119389]; selected_pubchem_cids=[31265]; 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 |
| 256,626 | chebi_altlabels | altLabel | [] | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,897 | consensus_match | altLabel | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; cas=123-66-0; added Common Chemistry CAS names as altLabel: Ethyl capronate, Hexanoic acid, ethyl ester, NSC 8882; object_uuid=fo-070d0a883debccc8 |
| 266,898 | consensus_match | cas_match_labels | — | {"123-66-0":"exactMatch"} | group_key=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-070d0a883debccc8: {'123-66-0': 'exactMatch'} |
| 278,117 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl Hexanoate' |
| 284,852 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CCCCCC(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,713 | strip_catalogue_altlabels | altLabel | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Caproic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 8882' (registry code) |
| 308,550 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1c22260b-706b-… | associations resolved on the elementary layer |
| 312,272 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2748ea7d-9ae5-… | associations resolved on the elementary layer |
| 312,752 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/28f21d3b-1dba-… | associations resolved on the elementary layer |
| 317,582 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/368e638b-9c76-… | associations resolved on the elementary layer |
| 338,749 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e364aee-3113-… | associations resolved on the elementary layer |
| 352,044 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9af92b42-7cd8-… | associations resolved on the elementary layer |
| 357,496 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ad350a16-1418-… | associations resolved on the elementary layer |
| 359,758 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b52ffd47-65f3-… | associations resolved on the elementary layer |
| 363,870 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c3926bfe-48a7-… | associations resolved on the elementary layer |