Butyl Isocyanate
Everything that changed this flow. Back to the flow
46056f2a-5827-4cd5-9b75-cbafae95a222
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 | chebi_altlabels, consensus_match | group_key=butylisocyanate||dimension=Environmental > media=Water > water_body=Ocean; cas=111-36-4; added Common Chemistry CAS names as altLabel: Butane, 1-isocyanato-, Isocyanic acid, butyl ester; object_uuid=fo-22cd59e2157d7d1b |
| 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=butylisocyanate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-36-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-22cd59e2157d7d1b: {'111-36-4': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-36-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_136519']; candidate_pubchem_cids=[8110, 75609, 77873]; selected_pubchem_cids=[8110]; 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 |
|---|---|---|---|---|---|
| 5,316 | bootstrap_labels | prefLabel | — | [{"@value":"butyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 5,317 | bootstrap_labels | name | butyl isocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 5,318 | bootstrap_labels | synonyms | ["1-Butyl isocyanate","1-Isocyanatobutane","AC1L1QAE","AC1Q2WTZ","AC1Q6BLQ","AKOS000120793","BB_SC-6541","Butane, 1-iso… | [] | Removed legacy synonyms field in favor of structured labels |
| 82,976 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 82,977 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 215,114 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,321 | normalize_name_case | prefLabel | [{"@value":"butyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Butyl Isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,290 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,291 | enrich_references | skos_definition | — | [{"@value":"An isocyanate having a butyl group attached to the nitrogen.","@language":"en","provenance":{"prov:wasGener… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,292 | enrich_references | references | [] | [{"@id":"gmelin:662892","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['111-36-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_136519']; candidate_pubchem_cids=[8110, 75609, 77873]; selected_pubchem_cids=[8110]; 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 |
| 249,784 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | rdkit_pre_consensus from 'CCCCN=C=O'; added: monoisotopic_mass |
| 255,053 | chebi_altlabels | altLabel | [] | [{"@value":"1-Butyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,614 | consensus_match | altLabel | [{"@value":"1-Butyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"1-Butyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | group_key=butylisocyanate||dimension=Environmental > media=Water > water_body=Ocean; cas=111-36-4; added Common Chemistry CAS names as altLabel: Butane, 1-isocyanato-, Isocyanic acid, butyl ester; object_uuid=fo-22cd59e2157d7d1b |
| 264,615 | consensus_match | cas_match_labels | — | {"111-36-4":"exactMatch"} | group_key=butylisocyanate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-36-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-22cd59e2157d7d1b: {'111-36-4': 'exactMatch'} |
| 274,924 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butyl Isocyanate' |
| 281,401 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | rdkit_post_consensus from 'CCCCN=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 322,502 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/46056f2a-5827-… | associations resolved on the elementary layer |
| 389,229 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO"],"… | typed the way the ontology types it |
| 396,289 | 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/20260821T1554374006150000/5316 | prefLabel | ef:agent/bootstrap_labels | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v0 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v1 |
| ef:activity/change/20260821T1554374006150000/5317 | name | ef:agent/bootstrap_labels | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v1 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v2 |
| ef:activity/change/20260821T1554374006150000/5318 | synonyms | ef:agent/bootstrap_labels | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v2 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v3 |
| ef:activity/change/20260821T1554374006150000/82976 | context | ef:agent/default_context_mapping | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v3 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v4 |
| ef:activity/change/20260821T1554374006150000/82977 | context_iri | ef:agent/default_context_mapping | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v4 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v5 |
| ef:activity/change/20260821T1554374006150000/215114 | unit_iri | ef:agent/unit_normalization | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v5 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v6 |
| ef:activity/change/20260821T1554374006150000/222321 | prefLabel | ef:agent/normalize_name_case | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v6 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v7 |
| ef:activity/change/20260821T1554374006150000/232290 | properties | ef:agent/enrich_references | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v7 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v8 |
| ef:activity/change/20260821T1554374006150000/232291 | skos_definition | ef:agent/enrich_references | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v8 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v9 |
| ef:activity/change/20260821T1554374006150000/232292 | references | ef:agent/enrich_references | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v9 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v10 |
| ef:activity/change/20260821T1554374006150000/249784 | properties | ef:agent/rdkit_pre_consensus | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v10 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v11 |
| ef:activity/change/20260821T1554374006150000/255053 | altLabel | ef:agent/chebi_altlabels | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v11 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v12 |
| ef:activity/change/20260821T1554374006150000/264614 | altLabel | ef:agent/consensus_match | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v12 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v13 |
| ef:activity/change/20260821T1554374006150000/264615 | cas_match_labels | ef:agent/consensus_match | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v13 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v14 |
| ef:activity/change/20260821T1554374006150000/274924 | properties | ef:agent/opsin_iupac | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v14 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v15 |
| ef:activity/change/20260821T1554374006150000/281401 | properties | ef:agent/rdkit_post_consensus | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v15 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v16 |
| ef:activity/change/20260821T1554374006150000/322502 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v16 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v17 |
| ef:activity/change/20260821T1554374006150000/389229 | properties | ef:agent/normalise_property_values | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v17 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v18 |
| ef:activity/change/20260821T1554374006150000/396289 | types | ef:agent/link_flows_to_their_substance | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v18 | ef:flow/46056f2a-5827-4cd5-9b75-cbafae95a222/v19 |