2-methyl-1,3-propanediol
Everything that changed this flow. Back to the flow
1c781c08-b981-4d8d-8b87-742da1b2f97f
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 1 | consensus_match | group_key=2-methyl-1,3-propanediol||dimension=Environmental > media=Water > water_body=Surface water; cas=2163-42-0; added Common Chemistry CAS names as altLabel: 1,3-Dihydroxy-2-methylpropane, 1,3-Dihydroxyisobutane, 1,3-Isobutanediol, 1,3-Propanediol, 2-methyl-, 2-Methyl-1,3-propylene glycol, 2-Methylpropan-1,3-diol, 2-Methylpropane-1,3-diol, MPDiol, Methylpropanediol, Polyol 4, β-Hydroxyisobutanol; object_uuid=fo-354c31ecc7c2b2c7 |
| cas_match_labels | 1 | consensus_match | group_key=2-methyl-1,3-propanediol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'2163-42-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-354c31ecc7c2b2c7: {'2163-42-0': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2163-42-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[75103, 249927]; selected_pubchem_cids=[75103]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,026 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyl-1,3-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 12,027 | bootstrap_labels | name | 2-methyl-1,3-propanediol | — | Purged legacy name field to enforce prefLabel usage |
| 12,028 | bootstrap_labels | synonyms | ["organic","2-methyl-1,3-propanediol","mpdiol","mpdiol(r)glycol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 55,148 | 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 |
| 55,149 | 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 |
| 217,322 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,609 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,610 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,611 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.971D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2163-42-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[75103, 249927]; selected_pubchem_cids=[75103]; 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 |
| 251,600 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | rdkit_pre_consensus from 'CC(CO)CO'; added: molecular_mass, monoisotopic_mass |
| 261,028 | consensus_match | altLabel | [] | [{"@value":"1,3-Dihydroxy-2-methylpropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=2-methyl-1,3-propanediol||dimension=Environmental > media=Water > water_body=Surface water; cas=2163-42-0; added Common Chemistry CAS names as altLabel: 1,3-Dihydroxy-2-methylpropane, 1,3-Dihydroxyisobutane, 1,3-Isobutanediol, 1,3-Propanediol, 2-methyl-, 2-Methyl-1,3-propylene glycol, 2-Methylpropan-1,3-diol, 2-Methylpropane-1,3-diol, MPDiol, Methylpropanediol, Polyol 4, β-Hydroxyisobutanol; object_uuid=fo-354c31ecc7c2b2c7 |
| 261,029 | consensus_match | cas_match_labels | — | {"2163-42-0":"exactMatch"} | group_key=2-methyl-1,3-propanediol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'2163-42-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-354c31ecc7c2b2c7: {'2163-42-0': 'exactMatch'} |
| 276,782 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyl-1,3-propanediol' |
| 283,419 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | rdkit_post_consensus from 'CC(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 308,601 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1c781c08-b981-… | associations resolved on the elementary layer |
| 391,137 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | typed the way the ontology types it |
| 399,045 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/12026 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v0 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v1 |
| ef:activity/change/20260821T1302361922970000/12027 | name | ef:agent/bootstrap_labels | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v1 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v2 |
| ef:activity/change/20260821T1302361922970000/12028 | synonyms | ef:agent/bootstrap_labels | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v2 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v3 |
| ef:activity/change/20260821T1302361922970000/55148 | context | ef:agent/default_context_mapping | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v3 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v4 |
| ef:activity/change/20260821T1302361922970000/55149 | context_iri | ef:agent/default_context_mapping | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v4 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v5 |
| ef:activity/change/20260821T1302361922970000/217322 | unit_iri | ef:agent/unit_normalization | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v5 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v6 |
| ef:activity/change/20260821T1302361922970000/238609 | properties | ef:agent/enrich_references | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v6 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v7 |
| ef:activity/change/20260821T1302361922970000/238610 | skos_definition | ef:agent/enrich_references | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v7 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v8 |
| ef:activity/change/20260821T1302361922970000/238611 | references | ef:agent/enrich_references | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v8 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v9 |
| ef:activity/change/20260821T1302361922970000/251600 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v9 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v10 |
| ef:activity/change/20260821T1302361922970000/261028 | altLabel | ef:agent/consensus_match | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v10 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v11 |
| ef:activity/change/20260821T1302361922970000/261029 | cas_match_labels | ef:agent/consensus_match | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v11 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v12 |
| ef:activity/change/20260821T1302361922970000/276782 | properties | ef:agent/opsin_iupac | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v12 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v13 |
| ef:activity/change/20260821T1302361922970000/283419 | properties | ef:agent/rdkit_post_consensus | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v13 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v14 |
| ef:activity/change/20260821T1302361922970000/308601 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v14 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v15 |
| ef:activity/change/20260821T1302361922970000/391137 | properties | ef:agent/normalise_property_values | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v15 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v16 |
| ef:activity/change/20260821T1302361922970000/399045 | types | ef:agent/link_flows_to_their_substance | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v16 | ef:flow/1c781c08-b981-4d8d-8b87-742da1b2f97f/v17 |