2,2-bis[(heptanoyloxy)methyl]butyl Heptanoate (non-preferred Name)
Everything that changed this flow. Back to the flow
a77206e6-162e-442e-8770-e726c4e9f88a
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Basestock 704' (trade name), 'P 41' (grade code), 'P 41 (ester)' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'78-16-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f32919c2baa57b86: {'78-16-0': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['78-16-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[66216]; selected_pubchem_cids=[66216]; 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 |
|---|---|---|---|---|---|
| 21,459 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 21,460 | bootstrap_labels | name | 2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name) | — | Purged legacy name field to enforce prefLabel usage |
| 21,461 | bootstrap_labels | synonyms | ["organic","2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diylbisheptanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 149,365 | 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 |
| 149,366 | 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 |
| 220,227 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,949 | normalize_name_case | prefLabel | [{"@value":"2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)","@language":"en","source":{"prov:wasGen… | [{"@value":"2,2-bis[(heptanoyloxy)methyl]butyl Heptanoate (non-preferred Name)","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,793 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,794 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,795 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J114.964D","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['78-16-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[66216]; selected_pubchem_cids=[66216]; 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 |
| 253,983 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | rdkit_pre_consensus from 'CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC'; added: molecular_mass, monoisotopic_mass |
| 259,609 | consensus_match | altLabel | [] | [{"@value":"1,1,1-Trimethylolpropane triheptanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; cas=78-16-0; added Common Chemistry CAS names as altLabel: 1,1,1-Trimethylolpropane triheptanoate, 1,1′-[2-Ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate, Basestock 704, Heptanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, P 41, P 41 (ester), Reolube LT 2100, Trimethylolpropane triheptanoate; object_uuid=fo-f32919c2baa57b86 |
| 259,610 | consensus_match | cas_match_labels | — | {"78-16-0":"exactMatch"} | group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'78-16-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f32919c2baa57b86: {'78-16-0': 'exactMatch'} |
| 279,177 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,1-Trimethylolpropane triheptanoate' |
| 286,031 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6",… | rdkit_post_consensus from 'CCC(CO)(CO)CO.CCCCCCC(=O)O.CCCCCCC(=O)O.CCCCCCC(=O)O'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,715 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | withhold_contradicted_composition: the registry registers [(('C', 27), ('O', 6))], contradicting ['C27H56O9'] from ['rdkit_post_consensus']; withdrew inchi2d_key_string x1, molecular_formula x1, molecular_mass x1, monoisotopic_mass x1 |
| 291,478 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-Trimethylolpropane triheptanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"1,1,1-Trimethylolpropane triheptanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Removed 3 catalogue altLabel value(s): 'Basestock 704' (trade name), 'P 41' (grade code), 'P 41 (ester)' (grade code) |
| 355,737 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a77206e6-162e-… | associations resolved on the elementary layer |
| 393,588 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | typed the way the ontology types it |
| 402,637 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20261019T0712047113160000/21459 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v0 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v1 |
| ef:activity/change/20261019T0712047113160000/21460 | name | ef:agent/bootstrap_labels | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v1 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v2 |
| ef:activity/change/20261019T0712047113160000/21461 | synonyms | ef:agent/bootstrap_labels | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v2 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v3 |
| ef:activity/change/20261019T0712047113160000/149365 | context | ef:agent/default_context_mapping | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v3 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v4 |
| ef:activity/change/20261019T0712047113160000/149366 | context_iri | ef:agent/default_context_mapping | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v4 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v5 |
| ef:activity/change/20261019T0712047113160000/220227 | unit_iri | ef:agent/unit_normalization | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v5 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v6 |
| ef:activity/change/20261019T0712047113160000/225949 | prefLabel | ef:agent/normalize_name_case | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v6 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v7 |
| ef:activity/change/20261019T0712047113160000/246793 | properties | ef:agent/enrich_references | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v7 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v8 |
| ef:activity/change/20261019T0712047113160000/246794 | skos_definition | ef:agent/enrich_references | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v8 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v9 |
| ef:activity/change/20261019T0712047113160000/246795 | references | ef:agent/enrich_references | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v9 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v10 |
| ef:activity/change/20261019T0712047113160000/253983 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v10 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v11 |
| ef:activity/change/20261019T0712047113160000/259609 | altLabel | ef:agent/consensus_match | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v11 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v12 |
| ef:activity/change/20261019T0712047113160000/259610 | cas_match_labels | ef:agent/consensus_match | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v12 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v13 |
| ef:activity/change/20261019T0712047113160000/279177 | properties | ef:agent/opsin_iupac | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v13 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v14 |
| ef:activity/change/20261019T0712047113160000/286031 | properties | ef:agent/rdkit_post_consensus | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v14 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v15 |
| ef:activity/change/20261019T0712047113160000/286715 | properties | ef:agent/withhold_contradicted_composition | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v15 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v16 |
| ef:activity/change/20261019T0712047113160000/291478 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v16 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v17 |
| ef:activity/change/20261019T0712047113160000/355737 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v17 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v18 |
| ef:activity/change/20261019T0712047113160000/393588 | properties | ef:agent/normalise_property_values | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v18 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v19 |
| ef:activity/change/20261019T0712047113160000/402637 | types | ef:agent/link_flows_to_their_substance | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v19 | ef:flow/a77206e6-162e-442e-8770-e726c4e9f88a/v20 |