3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate
Everything that changed this flow. Back to the flow
2980f179-569f-4b9d-b7dd-072673d2477c
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'CA 164' (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=3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propylvalerate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'15834-04-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-18cc3ffea7af3869: {'15834-04-5': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['15834-04-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[85131]; selected_pubchem_cids=[85131]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,545 | bootstrap_labels | prefLabel | — | [{"@value":"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 17,546 | bootstrap_labels | name | 3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate | — | Purged legacy name field to enforce prefLabel usage |
| 17,547 | bootstrap_labels | synonyms | ["organic","2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyldivalerate","emkaraterl15dr","emkaraterl3920"] | [] | Removed legacy synonyms field in favor of structured labels |
| 64,678 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 64,679 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 219,088 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,112 | normalize_name_case | prefLabel | [{"@value":"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate","@language":"en","source":{"prov:wasGenerate… | [{"@value":"3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate","@language":"en","source":{"prov:wasGenerate… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,621 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,622 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,623 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.230A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['15834-04-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[85131]; selected_pubchem_cids=[85131]; 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 |
| 253,055 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | rdkit_pre_consensus from 'CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC'; added: molecular_mass, monoisotopic_mass |
| 261,821 | consensus_match | altLabel | [] | [{"@value":"CA 164","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensu… | group_key=3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propylvalerate||dimension=Environmental > media=Ground > geography=Agricultural; cas=15834-04-5; added Common Chemistry CAS names as altLabel: CA 164, Nissan Unister CA 164, Pentaerythritol tetrapentanoate, Pentaerythritol, tetravalerate, Pentanoic acid, 1,1′-[2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] ester, Pentanoic acid, 2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl ester, Perstorp PETV, Unister CA 164, Valeric acid, neopentanetetrayl ester, [3-Pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] Pentanoat; object_uuid=fo-18cc3ffea7af3869 |
| 261,822 | consensus_match | cas_match_labels | — | {"15834-04-5":"exactMatch"} | group_key=3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propylvalerate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'15834-04-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-18cc3ffea7af3869: {'15834-04-5': 'exactMatch'} |
| 278,254 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl Valerate' |
| 285,002 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | rdkit_post_consensus from 'CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,800 | strip_catalogue_altlabels | altLabel | [{"@value":"CA 164","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensu… | [{"@value":"Nissan Unister CA 164","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'CA 164' (grade code) |
| 313,355 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2980f179-569f-… | associations resolved on the elementary layer |
| 392,610 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H44O8"]… | typed the way the ontology types it |
| 401,169 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1122181958110000/17545 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v0 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v1 |
| ef:activity/change/20260821T1122181958110000/17546 | name | ef:agent/bootstrap_labels | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v1 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v2 |
| ef:activity/change/20260821T1122181958110000/17547 | synonyms | ef:agent/bootstrap_labels | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v2 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v3 |
| ef:activity/change/20260821T1122181958110000/64678 | context | ef:agent/default_context_mapping | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v3 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v4 |
| ef:activity/change/20260821T1122181958110000/64679 | context_iri | ef:agent/default_context_mapping | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v4 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v5 |
| ef:activity/change/20260821T1122181958110000/219088 | unit_iri | ef:agent/unit_normalization | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v5 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v6 |
| ef:activity/change/20260821T1122181958110000/225112 | prefLabel | ef:agent/normalize_name_case | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v6 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v7 |
| ef:activity/change/20260821T1122181958110000/243621 | properties | ef:agent/enrich_references | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v7 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v8 |
| ef:activity/change/20260821T1122181958110000/243622 | skos_definition | ef:agent/enrich_references | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v8 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v9 |
| ef:activity/change/20260821T1122181958110000/243623 | references | ef:agent/enrich_references | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v9 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v10 |
| ef:activity/change/20260821T1122181958110000/253055 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v10 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v11 |
| ef:activity/change/20260821T1122181958110000/261821 | altLabel | ef:agent/consensus_match | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v11 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v12 |
| ef:activity/change/20260821T1122181958110000/261822 | cas_match_labels | ef:agent/consensus_match | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v12 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v13 |
| ef:activity/change/20260821T1122181958110000/278254 | properties | ef:agent/opsin_iupac | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v13 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v14 |
| ef:activity/change/20260821T1122181958110000/285002 | properties | ef:agent/rdkit_post_consensus | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v14 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v15 |
| ef:activity/change/20260821T1122181958110000/290800 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v15 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v16 |
| ef:activity/change/20260821T1122181958110000/313355 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v16 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v17 |
| ef:activity/change/20260821T1122181958110000/392610 | properties | ef:agent/normalise_property_values | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v17 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v18 |
| ef:activity/change/20260821T1122181958110000/401169 | types | ef:agent/link_flows_to_their_substance | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v18 | ef:flow/2980f179-569f-4b9d-b7dd-072673d2477c/v19 |