2-ethylhexanoic Acid, Zirconium Salt
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-aa9749f56f710b85
Changes
54| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,088 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexanoic acid, zirconium salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 2,089 | bootstrap_labels | name | 2-ethylhexanoic acid, zirconium salt | — | Purged legacy name field to enforce prefLabel usage |
| 2,090 | bootstrap_labels | synonyms | ["organometallic","2-ethylhexanoicacid,zirconiumsalt"] | [] | Removed legacy synonyms field in favor of structured labels |
| 27,372 | 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 |
| 27,373 | 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 |
| 49,724 | 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) |
| 49,725 | 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) |
| 61,660 | 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 |
| 61,661 | 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 |
| 64,650 | 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 |
| 64,651 | 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 |
| 86,744 | 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 |
| 86,745 | 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 |
| 102,632 | 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) |
| 102,633 | 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) |
| 106,612 | 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 |
| 106,613 | 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 |
| 113,720 | 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 |
| 113,721 | 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 |
| 142,628 | 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 |
| 142,629 | 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 |
| 143,682 | 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 |
| 143,683 | 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 |
| 151,942 | 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 |
| 151,943 | 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 |
| 170,078 | 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 |
| 170,079 | 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 |
| 183,724 | 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 |
| 183,725 | 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 |
| 214,035 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,573 | normalize_name_case | prefLabel | [{"@value":"2-ethylhexanoic acid, zirconium salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2-ethylhexanoic Acid, Zirconium Salt","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,186 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 229,187 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,188 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.040.910","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['22464-99-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[6451377, 11125210, 13366094, 13388286, 73555628, 112500423, 170923288]; selected_pubchem_cids=[11125210, 13366094, 112500423, 170923288]; 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 |
| 248,894 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | rdkit_pre_consensus from 'CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Zr]'; added: molecular_mass, monoisotopic_mass |
| 260,808 | consensus_match | altLabel | [] | [{"@value":"Hexanoic acid, 2-ethyl-, zirconium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=2-ethylhexanoicacid,zirconiumsalt||dimension=Environmental > media=Air > strata=Unknown; cas=22464-99-9; added Common Chemistry CAS names as altLabel: Hexanoic acid, 2-ethyl-, zirconium salt, Hexanoic acid, 2-ethyl-, zirconium salt (1:?), Octa-Soligen Zirconium 10, Octope Zr, Zirconium 2-ethylhexanoate, Zirconium Hex-Cem; object_uuid=fo-aa9749f56f710b85 |
| 260,809 | consensus_match | cas_match_labels | — | {"22464-99-9":"exactMatch"} | group_key=2-ethylhexanoicacid,zirconiumsalt||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'22464-99-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-aa9749f56f710b85: {'22464-99-9': 'exactMatch'} |
| 274,013 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylhexanoic Acid, Zirconium Salt' |
| 280,414 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | rdkit_post_consensus from 'CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,745 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4Zr… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 5 candidate structures, so no one mass describes it |
| 294,723 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0291b58b-1df5-… | associations resolved on the elementary layer |
| 305,882 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/14ede71a-261b-… | associations resolved on the elementary layer |
| 311,842 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/25fb5026-ada8-… | associations resolved on the elementary layer |
| 313,336 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/29763228-b70a-… | associations resolved on the elementary layer |
| 324,381 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4cb5ef05-8d81-… | associations resolved on the elementary layer |
| 332,306 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/58ea6536-9c5f-… | associations resolved on the elementary layer |
| 334,297 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5fb2c1f6-e71c-… | associations resolved on the elementary layer |
| 337,852 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6b611948-19e6-… | associations resolved on the elementary layer |
| 352,309 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9c1c48d7-4b66-… | associations resolved on the elementary layer |
| 352,836 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9dd7666e-1957-… | associations resolved on the elementary layer |