3-[butoxy(methyl)phosphoryl]-1-cyanopropyl Acetate
Everything that changed this flow. Back to the flow
510e313d-05d3-4075-9634-47ca115cd114
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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-[butoxy(methyl)phosphoryl]-1-cyanopropylacetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['pubchem']; cas_sources={'167004-78-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02bcece40ad943a5: {'167004-78-6': '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=['167004-78-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44145865]; selected_pubchem_cids=[44145865]; 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 |
|---|---|---|---|---|---|
| 12,661 | bootstrap_labels | prefLabel | — | [{"@value":"3-[butoxy(methyl)phosphoryl]-1-cyanopropyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 12,662 | bootstrap_labels | name | 3-[butoxy(methyl)phosphoryl]-1-cyanopropyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 12,663 | bootstrap_labels | synonyms | ["organic","phosphinicacid,p-[3-(acetyloxy)-3-cyanopropyl]-p-methyl-,butylester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 98,094 | 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 |
| 98,095 | 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 |
| 217,528 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,033 | normalize_name_case | prefLabel | [{"@value":"3-[butoxy(methyl)phosphoryl]-1-cyanopropyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"3-[butoxy(methyl)phosphoryl]-1-cyanopropyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,207 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,208 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,209 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.110.691","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['167004-78-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44145865]; selected_pubchem_cids=[44145865]; 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 |
| 251,775 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | rdkit_pre_consensus from 'CCCCOP(=O)(C)CCC(C#N)OC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 261,868 | consensus_match | altLabel | [] | [{"@value":"Butyl <em>P</em>-[3-(acetyloxy)-3-cyanopropyl]-<em>P</em>-methylphosphinate","@language":"en","source":{"pr… | group_key=3-[butoxy(methyl)phosphoryl]-1-cyanopropylacetate||dimension=Environmental > media=Air > strata=Long-term; cas=167004-78-6; added Common Chemistry CAS names as altLabel: Butyl <em>P</em>-[3-(acetyloxy)-3-cyanopropyl]-<em>P</em>-methylphosphinate, Phosphinic acid, <em>P</em>-[3-(acetyloxy)-3-cyanopropyl]-<em>P</em>-methyl-, butyl ester, Phosphinic acid, [3-(acetyloxy)-3-cyanopropyl]methyl-, butyl ester, [3-[Butoxy(methyl)phosphoryl]-1-cyanopropyl] acetate; object_uuid=fo-02bcece40ad943a5 |
| 261,869 | consensus_match | cas_match_labels | — | {"167004-78-6":"exactMatch"} | group_key=3-[butoxy(methyl)phosphoryl]-1-cyanopropylacetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['pubchem']; cas_sources={'167004-78-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02bcece40ad943a5: {'167004-78-6': 'exactMatch'} |
| 276,962 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[butoxy(methyl)phosphoryl]-1-cyanopropyl Acetate' |
| 283,613 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | rdkit_post_consensus from 'CCCCOP(C)(=O)CCC(C#N)OC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,642 | dedupe_altlabels | altLabel | [{"@value":"Butyl <em>P</em>-[3-(acetyloxy)-3-cyanopropyl]-<em>P</em>-methylphosphinate","@language":"en","source":{"pr… | [{"@value":"Butyl P-[3-(acetyloxy)-3-cyanopropyl]-P-methylphosphinate","@language":"en","source":{"prov:wasGeneratedBy"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 330,044 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/510e313d-05d3-… | associations resolved on the elementary layer |
| 391,317 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H20NO4P… | typed the way the ontology types it |
| 399,294 | 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/20260821T1554374006150000/12661 | prefLabel | ef:agent/bootstrap_labels | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v0 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v1 |
| ef:activity/change/20260821T1554374006150000/12662 | name | ef:agent/bootstrap_labels | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v1 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v2 |
| ef:activity/change/20260821T1554374006150000/12663 | synonyms | ef:agent/bootstrap_labels | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v2 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v3 |
| ef:activity/change/20260821T1554374006150000/98094 | context | ef:agent/default_context_mapping | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v3 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v4 |
| ef:activity/change/20260821T1554374006150000/98095 | context_iri | ef:agent/default_context_mapping | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v4 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v5 |
| ef:activity/change/20260821T1554374006150000/217528 | unit_iri | ef:agent/unit_normalization | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v5 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v6 |
| ef:activity/change/20260821T1554374006150000/224033 | prefLabel | ef:agent/normalize_name_case | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v6 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v7 |
| ef:activity/change/20260821T1554374006150000/239207 | properties | ef:agent/enrich_references | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v7 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v8 |
| ef:activity/change/20260821T1554374006150000/239208 | skos_definition | ef:agent/enrich_references | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v8 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v9 |
| ef:activity/change/20260821T1554374006150000/239209 | references | ef:agent/enrich_references | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v9 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v10 |
| ef:activity/change/20260821T1554374006150000/251775 | properties | ef:agent/rdkit_pre_consensus | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v10 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v11 |
| ef:activity/change/20260821T1554374006150000/261868 | altLabel | ef:agent/consensus_match | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v11 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v12 |
| ef:activity/change/20260821T1554374006150000/261869 | cas_match_labels | ef:agent/consensus_match | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v12 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v13 |
| ef:activity/change/20260821T1554374006150000/276962 | properties | ef:agent/opsin_iupac | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v13 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v14 |
| ef:activity/change/20260821T1554374006150000/283613 | properties | ef:agent/rdkit_post_consensus | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v14 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v15 |
| ef:activity/change/20260821T1554374006150000/292642 | altLabel | ef:agent/dedupe_altlabels | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v15 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v16 |
| ef:activity/change/20260821T1554374006150000/330044 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v16 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v17 |
| ef:activity/change/20260821T1554374006150000/391317 | properties | ef:agent/normalise_property_values | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v17 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v18 |
| ef:activity/change/20260821T1554374006150000/399294 | types | ef:agent/link_flows_to_their_substance | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v18 | ef:flow/510e313d-05d3-4075-9634-47ca115cd114/v19 |