2,2-dimethylpropane-1,3-diyl Dioctanoate
Everything that changed this flow. Back to the flow
61d4b62e-31a5-4cac-82d6-3d001326638d
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2,2-dimethylpropane-1,3-diyldioctanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=31335-74-7; added Common Chemistry CAS names as altLabel: 2,2-Dimethyl-1,3-propanediyl dioctanoate, Neopentyl glycol dicaprylate, Neopentyl glycol dioctoate, Neopentylglycol dioctanoate, Octanoic acid, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester, Octanoic acid, 2,2-dimethyltrimethylene ester; object_uuid=fo-d5c50327dd2b1ebe |
| cas_match_labels | 1 | consensus_match | group_key=2,2-dimethylpropane-1,3-diyldioctanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31335-74-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5c50327dd2b1ebe: {'31335-74-7': '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 |
| 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['31335-74-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[160200, 168445, 57377119]; selected_pubchem_cids=[160200]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 23,027 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylpropane-1,3-diyl dioctanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 23,028 | bootstrap_labels | name | 2,2-dimethylpropane-1,3-diyl dioctanoate | — | Purged legacy name field to enforce prefLabel usage |
| 23,029 | bootstrap_labels | synonyms | ["organic","2,2-dimethyl-1,3-propanediyldioctanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 107,871 | 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 |
| 107,872 | 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 |
| 220,614 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,261 | normalize_name_case | prefLabel | [{"@value":"2,2-dimethylpropane-1,3-diyl dioctanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | [{"@value":"2,2-dimethylpropane-1,3-diyl Dioctanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,798 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,799 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,800 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J278.094A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['31335-74-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[160200, 168445, 57377119]; selected_pubchem_cids=[160200]; 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 |
| 254,269 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | rdkit_pre_consensus from 'CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC'; added: molecular_mass, monoisotopic_mass |
| 259,673 | consensus_match | altLabel | [] | [{"@value":"2,2-Dimethyl-1,3-propanediyl dioctanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=2,2-dimethylpropane-1,3-diyldioctanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=31335-74-7; added Common Chemistry CAS names as altLabel: 2,2-Dimethyl-1,3-propanediyl dioctanoate, Neopentyl glycol dicaprylate, Neopentyl glycol dioctoate, Neopentylglycol dioctanoate, Octanoic acid, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester, Octanoic acid, 2,2-dimethyltrimethylene ester; object_uuid=fo-d5c50327dd2b1ebe |
| 259,674 | consensus_match | cas_match_labels | — | {"31335-74-7":"exactMatch"} | group_key=2,2-dimethylpropane-1,3-diyldioctanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31335-74-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5c50327dd2b1ebe: {'31335-74-7': 'exactMatch'} |
| 279,498 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-dimethylpropane-1,3-diyl Dioctanoate' |
| 286,375 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | rdkit_post_consensus from 'CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 334,964 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/61d4b62e-31a5-… | associations resolved on the elementary layer |
| 393,916 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H40O4"]… | typed the way the ontology types it |
| 403,140 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20261021T0746548129760000/23027 | prefLabel | ef:agent/bootstrap_labels | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v0 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v1 |
| ef:activity/change/20261021T0746548129760000/23028 | name | ef:agent/bootstrap_labels | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v1 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v2 |
| ef:activity/change/20261021T0746548129760000/23029 | synonyms | ef:agent/bootstrap_labels | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v2 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v3 |
| ef:activity/change/20261021T0746548129760000/107871 | context | ef:agent/default_context_mapping | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v3 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v4 |
| ef:activity/change/20261021T0746548129760000/107872 | context_iri | ef:agent/default_context_mapping | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v4 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v5 |
| ef:activity/change/20261021T0746548129760000/220614 | unit_iri | ef:agent/unit_normalization | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v5 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v6 |
| ef:activity/change/20261021T0746548129760000/226261 | prefLabel | ef:agent/normalize_name_case | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v6 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v7 |
| ef:activity/change/20261021T0746548129760000/247798 | properties | ef:agent/enrich_references | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v7 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v8 |
| ef:activity/change/20261021T0746548129760000/247799 | skos_definition | ef:agent/enrich_references | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v8 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v9 |
| ef:activity/change/20261021T0746548129760000/247800 | references | ef:agent/enrich_references | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v9 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v10 |
| ef:activity/change/20261021T0746548129760000/254269 | properties | ef:agent/rdkit_pre_consensus | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v10 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v11 |
| ef:activity/change/20261021T0746548129760000/259673 | altLabel | ef:agent/consensus_match | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v11 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v12 |
| ef:activity/change/20261021T0746548129760000/259674 | cas_match_labels | ef:agent/consensus_match | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v12 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v13 |
| ef:activity/change/20261021T0746548129760000/279498 | properties | ef:agent/opsin_iupac | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v13 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v14 |
| ef:activity/change/20261021T0746548129760000/286375 | properties | ef:agent/rdkit_post_consensus | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v14 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v15 |
| ef:activity/change/20261021T0746548129760000/334964 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v15 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v16 |
| ef:activity/change/20261021T0746548129760000/393916 | properties | ef:agent/normalise_property_values | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v16 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v17 |
| ef:activity/change/20261021T0746548129760000/403140 | types | ef:agent/link_flows_to_their_substance | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v17 | ef:flow/61d4b62e-31a5-4cac-82d6-3d001326638d/v18 |