2,2-bis[(nonanoyloxy)methyl]butyl Nonanoate (non-preferred Name)
Everything that changed this flow. Back to the flow
49ccddd3-c896-49b5-b202-8fd02d927bb2
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 2 catalogue altLabel value(s): 'Emery 2934' (trade name), 'Emery 6701' (trade name) |
| 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[(nonanoyloxy)methyl]butylnonanoate(non-preferredname)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'126-57-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-95f2a488190f7c90: {'126-57-8': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-57-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[31351]; selected_pubchem_cids=[31351]; 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 |
|---|---|---|---|---|---|
| 13,105 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-bis[(nonanoyloxy)methyl]butyl nonanoate (non-preferred name)","@language":"en","source":{"prov:wasGener… | Bootstrapped prefLabel from legacy name field |
| 13,106 | bootstrap_labels | name | 2,2-bis[(nonanoyloxy)methyl]butyl nonanoate (non-preferred name) | — | Purged legacy name field to enforce prefLabel usage |
| 13,107 | bootstrap_labels | synonyms | ["organic","2-ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyldinonan-1-oate","hatcol2939","oxlubel9-tmp"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,104 | 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 |
| 85,105 | 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 |
| 217,672 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,128 | normalize_name_case | prefLabel | [{"@value":"2,2-bis[(nonanoyloxy)methyl]butyl nonanoate (non-preferred name)","@language":"en","source":{"prov:wasGener… | [{"@value":"2,2-bis[(nonanoyloxy)methyl]butyl Nonanoate (non-preferred Name)","@language":"en","source":{"prov:wasGener… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,612 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,613 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,614 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J114.966K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['126-57-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[31351]; selected_pubchem_cids=[31351]; 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 |
| 251,892 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | rdkit_pre_consensus from 'CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC'; added: molecular_mass, monoisotopic_mass |
| 259,612 | consensus_match | altLabel | [] | [{"@value":"1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, trinonanoate","@language":"en","source":{"prov:wasGeneratedBy"… | group_key=2,2-bis[(nonanoyloxy)methyl]butylnonanoate(non-preferredname)||dimension=Environmental > media=Air > strata=Unknown; cas=126-57-8; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, trinonanoate, 2-Ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate, Emery 2934, Emery 6701, Nonanoic acid, 1,1′-[2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester, Nonanoic acid, 2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester, Nonanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, Reolube LT 2700, TMP trinonanoate, TMP tripelargonate, TMP-C 9, Trimethylolpropane trinonanoate, Trimethylolpropane tripelargonate; object_uuid=fo-95f2a488190f7c90 |
| 259,613 | consensus_match | cas_match_labels | — | {"126-57-8":"exactMatch"} | group_key=2,2-bis[(nonanoyloxy)methyl]butylnonanoate(non-preferredname)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'126-57-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-95f2a488190f7c90: {'126-57-8': 'exactMatch'} |
| 277,080 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, trinonanoate' |
| 283,736 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6",… | rdkit_post_consensus from 'CCC(CO)(CO)CO.CCCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCC(=O)O'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,672 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | withhold_contradicted_composition: the registry registers [(('C', 33), ('O', 6))], contradicting ['C33H68O9'] from ['rdkit_post_consensus']; withdrew inchi2d_key_string x1, molecular_formula x1, molecular_mass x1, monoisotopic_mass x1 |
| 289,938 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, trinonanoate","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, trinonanoate","@language":"en","source":{"prov:wasGeneratedBy"… | Removed 2 catalogue altLabel value(s): 'Emery 2934' (trade name), 'Emery 6701' (trade name) |
| 323,560 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/49ccddd3-c896-… | associations resolved on the elementary layer |
| 391,426 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H62O6"]… | typed the way the ontology types it |
| 399,456 | 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/20260821T0609040591070000/13105 | prefLabel | ef:agent/bootstrap_labels | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v0 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v1 |
| ef:activity/change/20260821T0609040591070000/13106 | name | ef:agent/bootstrap_labels | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v1 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v2 |
| ef:activity/change/20260821T0609040591070000/13107 | synonyms | ef:agent/bootstrap_labels | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v2 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v3 |
| ef:activity/change/20260821T0609040591070000/85104 | context | ef:agent/default_context_mapping | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v3 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v4 |
| ef:activity/change/20260821T0609040591070000/85105 | context_iri | ef:agent/default_context_mapping | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v4 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v5 |
| ef:activity/change/20260821T0609040591070000/217672 | unit_iri | ef:agent/unit_normalization | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v5 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v6 |
| ef:activity/change/20260821T0609040591070000/224128 | prefLabel | ef:agent/normalize_name_case | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v6 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v7 |
| ef:activity/change/20260821T0609040591070000/239612 | properties | ef:agent/enrich_references | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v7 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v8 |
| ef:activity/change/20260821T0609040591070000/239613 | skos_definition | ef:agent/enrich_references | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v8 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v9 |
| ef:activity/change/20260821T0609040591070000/239614 | references | ef:agent/enrich_references | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v9 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v10 |
| ef:activity/change/20260821T0609040591070000/251892 | properties | ef:agent/rdkit_pre_consensus | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v10 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v11 |
| ef:activity/change/20260821T0609040591070000/259612 | altLabel | ef:agent/consensus_match | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v11 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v12 |
| ef:activity/change/20260821T0609040591070000/259613 | cas_match_labels | ef:agent/consensus_match | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v12 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v13 |
| ef:activity/change/20260821T0609040591070000/277080 | properties | ef:agent/opsin_iupac | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v13 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v14 |
| ef:activity/change/20260821T0609040591070000/283736 | properties | ef:agent/rdkit_post_consensus | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v14 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v15 |
| ef:activity/change/20260821T0609040591070000/286672 | properties | ef:agent/withhold_contradicted_composition | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v15 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v16 |
| ef:activity/change/20260821T0609040591070000/289938 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v16 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v17 |
| ef:activity/change/20260821T0609040591070000/323560 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v17 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v18 |
| ef:activity/change/20260821T0609040591070000/391426 | properties | ef:agent/normalise_property_values | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v18 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v19 |
| ef:activity/change/20260821T0609040591070000/399456 | types | ef:agent/link_flows_to_their_substance | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v19 | ef:flow/49ccddd3-c896-49b5-b202-8fd02d927bb2/v20 |