2-ethyl-5,5-dimethyl-1,3-dioxane
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-1032d0819add18a3
Changes
52| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,257 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethyl-5,5-dimethyl-1,3-dioxane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 8,258 | bootstrap_labels | name | 2-ethyl-5,5-dimethyl-1,3-dioxane | — | Purged legacy name field to enforce prefLabel usage |
| 8,259 | bootstrap_labels | synonyms | ["AC1L2CT5","AC1Q2UDU","AC1Q705O","AKOS005137991","I14-14923","SBB062857","TX-010137"] | [] | Removed legacy synonyms field in favor of structured labels |
| 37,258 | 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 |
| 37,259 | 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 |
| 37,260 | 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) |
| 37,261 | 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) |
| 37,262 | 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 |
| 37,263 | 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 |
| 37,264 | 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 |
| 37,265 | 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 |
| 51,714 | 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 |
| 51,715 | 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 |
| 51,716 | 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 |
| 51,717 | 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 |
| 51,718 | 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 |
| 51,719 | 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 |
| 51,720 | 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 |
| 51,721 | 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 |
| 51,722 | 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 |
| 51,723 | 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 |
| 51,724 | 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 |
| 51,725 | 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 |
| 51,726 | 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 |
| 51,727 | 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 |
| 51,728 | 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) |
| 51,729 | 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) |
| 216,088 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,887 | ec_cross_check | ec_numbers | [] | ["212-197-2"] | Resolved from EC-inventory: 212-197-2 from CAS 768-58-1 |
| 235,068 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 235,069 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,070 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J193.146F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['768-58-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[69852, 240953, 28875876]; selected_pubchem_cids=[69852]; 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 |
| 250,580 | rdkit_pre_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_pre_consensus from 'CCC1OCC(CO1)(C)C'; added: molecular_mass, monoisotopic_mass |
| 260,776 | consensus_match | altLabel | [] | [{"@value":"1,3-Dioxane, 2-ethyl-5,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=2-ethyl-5,5-dimethyl-1,3-dioxane||dimension=Environmental > media=Air > strata=Unknown; cas=768-58-1; added Common Chemistry CAS names as altLabel: 1,3-Dioxane, 2-ethyl-5,5-dimethyl-, 5,5-Dimethyl-2-ethyl-1,3-dioxane, <em>m</em>-Dioxane, 2-ethyl-5,5-dimethyl-; object_uuid=fo-1032d0819add18a3 |
| 260,777 | consensus_match | cas_match_labels | — | {"768-58-1":"exactMatch"} | group_key=2-ethyl-5,5-dimethyl-1,3-dioxane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'768-58-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1032d0819add18a3: {'768-58-1': 'exactMatch'} |
| 275,745 | 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 '2-ethyl-5,5-dimethyl-1,3-dioxane' |
| 282,301 | 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 'CCC1OCC(C)(C)CO1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,390 | dedupe_altlabels | altLabel | [{"@value":"1,3-Dioxane, 2-ethyl-5,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"1,3-Dioxane, 2-ethyl-5,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Deduplicated altLabel values and removed entries matching prefLabel |
| 299,655 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 299,656 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 299,657 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 299,658 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 306,884 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e3-6556-… | associations resolved on the elementary layer |
| 306,885 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e4-6556-… | associations resolved on the elementary layer |
| 306,886 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e5-6556-… | associations resolved on the elementary layer |
| 306,887 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e6-6556-… | associations resolved on the elementary layer |
| 306,888 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e7-6556-… | associations resolved on the elementary layer |
| 306,889 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e8-6556-… | associations resolved on the elementary layer |
| 306,890 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9e9-6556-… | associations resolved on the elementary layer |
| 306,891 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172ad9ea-6556-… | associations resolved on the elementary layer |