Neopentyl glycol
Everything that changed this flow. Back to the flow
d3a3ec7a-a481-4557-94ee-b577991046ab
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | 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) |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=126-30-7; cc_chebi_agreed_name='Neopentyl glycol'; object_uuid=fo-bb20d8ef7b806cce |
| cas_match_labels | 1 | consensus_match | 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'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | 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 |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
20| # | 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 |
| 175,150 | 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) |
| 175,151 | 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) |
| 219,034 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,476 | 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) |
| 243,477 | 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 |
| 243,478 | 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 |
| 256,663 | 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) |
| 259,668 | 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 |
| 259,669 | 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 |
| 259,670 | 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 |
| 259,671 | 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'} |
| 278,214 | 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' |
| 284,958 | 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 |
| 290,769 | 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) |
| 368,599 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d3a3ec7a-a481-… | associations resolved on the elementary layer |
| 392,568 | normalise_property_values | 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"],… | typed the way the ontology types it |
| 401,105 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/17371 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v0 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v1 |
| ef:activity/change/20260821T1554374006150000/17372 | name | ef:agent/bootstrap_labels | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v1 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v2 |
| ef:activity/change/20260821T1554374006150000/17373 | synonyms | ef:agent/bootstrap_labels | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v2 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v3 |
| ef:activity/change/20260821T1554374006150000/175150 | context | ef:agent/default_context_mapping | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v3 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v4 |
| ef:activity/change/20260821T1554374006150000/175151 | context_iri | ef:agent/default_context_mapping | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v4 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v5 |
| ef:activity/change/20260821T1554374006150000/219034 | unit_iri | ef:agent/unit_normalization | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v5 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v6 |
| ef:activity/change/20260821T1554374006150000/243476 | properties | ef:agent/enrich_references | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v6 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v7 |
| ef:activity/change/20260821T1554374006150000/243477 | skos_definition | ef:agent/enrich_references | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v7 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v8 |
| ef:activity/change/20260821T1554374006150000/243478 | references | ef:agent/enrich_references | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v8 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v9 |
| ef:activity/change/20260821T1554374006150000/256663 | altLabel | ef:agent/chebi_altlabels | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v9 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v10 |
| ef:activity/change/20260821T1554374006150000/259668 | prefLabel | ef:agent/consensus_match | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v10 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v11 |
| ef:activity/change/20260821T1554374006150000/259669 | altLabel | ef:agent/consensus_match | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v11 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v12 |
| ef:activity/change/20260821T1554374006150000/259670 | altLabel | ef:agent/consensus_match | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v12 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v13 |
| ef:activity/change/20260821T1554374006150000/259671 | cas_match_labels | ef:agent/consensus_match | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v13 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v14 |
| ef:activity/change/20260821T1554374006150000/278214 | properties | ef:agent/opsin_iupac | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v14 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v15 |
| ef:activity/change/20260821T1554374006150000/284958 | properties | ef:agent/rdkit_post_consensus | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v15 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v16 |
| ef:activity/change/20260821T1554374006150000/290769 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v16 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v17 |
| ef:activity/change/20260821T1554374006150000/368599 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v17 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v18 |
| ef:activity/change/20260821T1554374006150000/392568 | properties | ef:agent/normalise_property_values | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v18 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v19 |
| ef:activity/change/20260821T1554374006150000/401105 | types | ef:agent/link_flows_to_their_substance | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v19 | ef:flow/d3a3ec7a-a481-4557-94ee-b577991046ab/v20 |