3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-eaac5a7b5444d875
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 361 | bootstrap_labels | prefLabel | — | [{"@value":"3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 362 | bootstrap_labels | name | 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate | — | Purged legacy name field to enforce prefLabel usage |
| 363 | bootstrap_labels | synonyms | ["(3-hydroxy-2,2-dimethyl-propyl) 3-hydroxy-2,2-dimethyl-propanoate","(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dime… | [] | Removed legacy synonyms field in favor of structured labels |
| 22,453 | bootstrap_labels | synonyms | ["3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate","propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,139 | 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 |
| 26,140 | 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 |
| 54,705 | 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 |
| 54,706 | 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 |
| 87,261 | 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 |
| 87,262 | 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 |
| 97,581 | 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) |
| 97,582 | 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) |
| 99,913 | 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) |
| 99,914 | 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) |
| 100,597 | 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 |
| 100,598 | 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 |
| 117,681 | 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 |
| 117,682 | 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 |
| 157,159 | 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 |
| 157,160 | 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 |
| 170,031 | 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 |
| 170,032 | 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 |
| 170,957 | 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 |
| 170,958 | 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 |
| 172,085 | 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 |
| 172,086 | 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 |
| 190,085 | 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 |
| 190,086 | 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 |
| 195,401 | 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 |
| 195,402 | 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 |
| 213,456 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,511 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,512 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,513 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J56.044H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1115-20-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[14218, 21701010]; selected_pubchem_cids=[14218]; 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 |
| 248,411 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | rdkit_pre_consensus from 'CC(C)(CO)COC(=O)C(C)(C)CO'; added: molecular_mass, monoisotopic_mass |
| 262,015 | consensus_match | altLabel | [] | [{"@value":"(3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate","@language":"en","source":{"prov:wasGenera… | group_key=3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1115-20-4; added Common Chemistry CAS names as altLabel: (3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate, 1,3-Propanediol, 2,2-dimethyl-, mono(2,2-dimethylhydracrylate), 2,2-Dimethyl-1,3-propanediol mono(hydroxypivalate), 2,2-Dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate, 2,2-Dimethyl-3-hydroxypropyl α,α-dimethyl-β-hydroxypropionate, 3-(Hydroxypivaloyloxy)-2,2-dimethylpropanol, 3-Hydroxy-2,2-dimethylpropyl 2,2-dimethylhydracrylate, 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, 3-Hydroxy-2,2-dimethylpropyl hydroxypivalate, Ester Diol 204, Hydracrylic acid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester, Hydroxyneopentyl hydroxypivalate, Hydroxypivalic acid neopentyl glycol ester, Hydroxypivalyl hydroxypivalate, Neopentyl glycol hydroxypivalate monoester, Neopentyl glycol monohydroxypivalate, Neopentylglycol hydroxypivalic ester, Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester; object_uuid=fo-eaac5a7b5444d875 |
| 262,016 | consensus_match | cas_match_labels | — | {"1115-20-4":"exactMatch"} | group_key=3-hydroxy-2,2-dimethylpropyl3-hydroxy-2,2-dimethylpropionate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1115-20-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eaac5a7b5444d875: {'1115-20-4': 'exactMatch'} |
| 273,537 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate' |
| 279,896 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O4"]… | rdkit_post_consensus from 'CC(C)(CO)COC(=O)C(C)(C)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,332 | strip_catalogue_altlabels | altLabel | [{"@value":"(3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate","@language":"en","source":{"prov:wasGenera… | [{"@value":"(3-Hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate","@language":"en","source":{"prov:wasGenera… | Removed 1 catalogue altLabel value(s): 'Ester Diol 204' (trade name) |
| 294,152 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/00625c5e-9876-… | associations resolved on the elementary layer |
| 308,418 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1bbf3fab-1743-… | associations resolved on the elementary layer |
| 324,683 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d900ab9-cab4-… | associations resolved on the elementary layer |
| 329,824 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/502df48e-d1fc-… | associations resolved on the elementary layer |
| 330,990 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/54330e0e-2460-… | associations resolved on the elementary layer |
| 331,332 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/555de2d3-fb0b-… | associations resolved on the elementary layer |
| 339,873 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7212fa3f-ac4f-… | associations resolved on the elementary layer |
| 359,635 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b4c2a0ee-2276-… | associations resolved on the elementary layer |
| 366,071 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cb1287f4-320e-… | associations resolved on the elementary layer |
| 366,534 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cc915394-c424-… | associations resolved on the elementary layer |