Neopentyl glycol
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-bb20d8ef7b806cce
Changes
57| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,371 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylpropane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 17,372 | bootstrap_labels | name | 2,2-dimethylpropane-1,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 17,373 | bootstrap_labels | synonyms | ["1,3-Propanediol, 2,2-dimethyl-","2,2-Bis(hydroxymethyl)propane","2,2-DIMETHYL-1,3-PROPANEDIOL","2,2-Dihydroxy-2,2-dim… | [] | Removed legacy synonyms field in favor of structured labels |
| 23,119 | bootstrap_labels | synonyms | ["2,2-dimethylpropane-1,3-diol","2,2-dimethyl-1,3-propanediol","1,3-propanediol, 2,2-dimethyl-","neopentyl glycol","2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 55,915 | 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 |
| 55,916 | 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 |
| 58,767 | 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 |
| 58,768 | 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 |
| 84,997 | 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 |
| 84,998 | 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 |
| 101,853 | 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 |
| 101,854 | 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 |
| 124,509 | 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 |
| 124,510 | 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 |
| 130,549 | 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 |
| 130,550 | 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 |
| 133,947 | 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 |
| 133,948 | 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 |
| 147,339 | 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) |
| 147,340 | 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) |
| 147,433 | 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 |
| 147,434 | 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 |
| 160,303 | 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 |
| 160,304 | 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 |
| 166,393 | 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 |
| 166,394 | 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 |
| 175,153 | 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) |
| 175,154 | 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) |
| 191,747 | 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 |
| 191,748 | 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 |
| 219,037 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,480 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,481 | enrich_references | skos_definition | — | [{"@value":"A propane-1,3-diol carrying two methyl groups at position 2.","@language":"en","provenance":{"prov:wasGener… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,482 | enrich_references | references | [] | [{"@id":"beilstein:605291","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['126-30-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_143768']; candidate_pubchem_cids=[31344, 102293]; selected_pubchem_cids=[31344]; 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 |
| 256,671 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,671 | consensus_match | prefLabel | [{"@value":"2,2-dimethylpropane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Neopentyl glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | cas=126-30-7; cc_chebi_agreed_name='Neopentyl glycol'; object_uuid=fo-bb20d8ef7b806cce |
| 259,672 | consensus_match | altLabel | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | cas=126-30-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-bb20d8ef7b806cce |
| 259,673 | consensus_match | altLabel | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | group_key=2,2-dimethylpropane-1,3-diol||dimension=Environmental > media=Water > water_body=Unknown; cas=126-30-7; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2,2-dimethyl-, 2,2-Bis(hydroxymethyl)propane, 2,2-Dimethyl-1,3-dihydroxypropane, 2,2-Dimethyl-1,3-propylene glycol, 2,2-Dimethylolpropane, 2,2-Dimethylpropan-1,3-diol, 2,2-Dimethylpropanediol monoacrylate monomethacrylate, 2,2-Dimethyltrimethylene glycol, 3-Hydroxy-2,2-dimethylpropanol, Dimethylolpropane, G 259, Hydroxypivalyl alcohol, NSC 55836, NSC 6366, Neeture N 40, Neopentylene glycol, Nexcoat 600, R 2490; object_uuid=fo-bb20d8ef7b806cce |
| 259,674 | consensus_match | cas_match_labels | — | {"126-30-7":"exactMatch"} | group_key=2,2-dimethylpropane-1,3-diol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'126-30-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb20d8ef7b806cce: {'126-30-7': 'exactMatch'} |
| 278,220 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Neopentyl glycol' |
| 284,964 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O2"],… | rdkit_post_consensus from 'CC(C)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,782 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"1,3-dihydroxy-2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Removed 5 catalogue altLabel value(s): 'G 259' (grade code), 'NSC 55836' (registry code), 'NSC 6366' (registry code), 'Nexcoat 600' (trade name), 'R 2490' (grade code) |
| 309,024 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1db9f4fa-1b9e-… | associations resolved on the elementary layer |
| 310,444 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21037013-3f0c-… | associations resolved on the elementary layer |
| 323,551 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/499259ee-ff3f-… | associations resolved on the elementary layer |
| 331,960 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/579303f5-8558-… | associations resolved on the elementary layer |
| 343,291 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7d84da3e-c5a6-… | associations resolved on the elementary layer |
| 346,309 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/87da1659-e7cc-… | associations resolved on the elementary layer |
| 348,004 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8d6f987a-c99f-… | associations resolved on the elementary layer |
| 354,722 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a3da4451-ac81-… | associations resolved on the elementary layer |