P-isopropylphenyl Isocyanate
Everything that changed this flow. Back to the flow
d551ece2-462e-46b9-9454-e1ed5b7c4016
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=p-isopropylphenylisocyanate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'31027-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-54df4b2e42857ffb: {'31027-31-3': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['31027-31-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[94416, 160642, 12403691]; selected_pubchem_cids=[94416]; 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 |
|---|---|---|---|---|---|
| 16,554 | bootstrap_labels | prefLabel | — | [{"@value":"p-isopropylphenyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 16,555 | bootstrap_labels | name | p-isopropylphenyl isocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 16,556 | bootstrap_labels | synonyms | ["organic","p-isopropylphenylisocyanate","4-isopropylphenylisocyanat"] | [] | Removed legacy synonyms field in favor of structured labels |
| 176,140 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 176,141 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 218,772 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,887 | normalize_name_case | prefLabel | [{"@value":"p-isopropylphenyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"P-isopropylphenyl Isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,745 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,746 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,747 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.432F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['31027-31-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[94416, 160642, 12403691]; selected_pubchem_cids=[94416]; 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 |
| 252,804 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | rdkit_pre_consensus from 'CC(C)C1=CC=C(C=C1)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 270,306 | consensus_match | altLabel | [] | [{"@value":"1-Isocyanato-4-(1-methylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=p-isopropylphenylisocyanate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=31027-31-3; added Common Chemistry CAS names as altLabel: 1-Isocyanato-4-(1-methylethyl)benzene, 1-Isocyanato-4-(propan-2-yl)benzene, 1-Isocyanato-4-isopropylbenzene, 1-Isocyanato-4-propan-2-ylbenzene, 4-(1-Methylethyl)phenylisocyanate, 4-Isopropylphenyl isocyanate, <em>p</em>-Cumenyl isocyanate, Benzene, 1-isocyanato-4-(1-methylethyl)-, Isocyanic acid, <em>p</em>-isopropylphenyl ester; object_uuid=fo-54df4b2e42857ffb |
| 270,307 | consensus_match | cas_match_labels | — | {"31027-31-3":"exactMatch"} | group_key=p-isopropylphenylisocyanate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'31027-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-54df4b2e42857ffb: {'31027-31-3': 'exactMatch'} |
| 278,005 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Isocyanato-4-(1-methylethyl)benzene' |
| 284,733 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | rdkit_post_consensus from 'CC(C)c1ccc(N=C=O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,886 | dedupe_altlabels | altLabel | [{"@value":"1-Isocyanato-4-(1-methylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | [{"@value":"1-Isocyanato-4-(1-methylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | Deduplicated altLabel values and removed entries matching prefLabel |
| 369,094 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d551ece2-462e-… | associations resolved on the elementary layer |
| 392,362 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11NO"]… | typed the way the ontology types it |
| 400,794 | 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/20260821T1554374006150000/16554 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v0 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v1 |
| ef:activity/change/20260821T1554374006150000/16555 | name | ef:agent/bootstrap_labels | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v1 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v2 |
| ef:activity/change/20260821T1554374006150000/16556 | synonyms | ef:agent/bootstrap_labels | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v2 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v3 |
| ef:activity/change/20260821T1554374006150000/176140 | context | ef:agent/default_context_mapping | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v3 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v4 |
| ef:activity/change/20260821T1554374006150000/176141 | context_iri | ef:agent/default_context_mapping | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v4 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v5 |
| ef:activity/change/20260821T1554374006150000/218772 | unit_iri | ef:agent/unit_normalization | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v5 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v6 |
| ef:activity/change/20260821T1554374006150000/224887 | prefLabel | ef:agent/normalize_name_case | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v6 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v7 |
| ef:activity/change/20260821T1554374006150000/242745 | properties | ef:agent/enrich_references | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v7 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v8 |
| ef:activity/change/20260821T1554374006150000/242746 | skos_definition | ef:agent/enrich_references | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v8 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v9 |
| ef:activity/change/20260821T1554374006150000/242747 | references | ef:agent/enrich_references | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v9 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v10 |
| ef:activity/change/20260821T1554374006150000/252804 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v10 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v11 |
| ef:activity/change/20260821T1554374006150000/270306 | altLabel | ef:agent/consensus_match | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v11 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v12 |
| ef:activity/change/20260821T1554374006150000/270307 | cas_match_labels | ef:agent/consensus_match | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v12 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v13 |
| ef:activity/change/20260821T1554374006150000/278005 | properties | ef:agent/opsin_iupac | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v13 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v14 |
| ef:activity/change/20260821T1554374006150000/284733 | properties | ef:agent/rdkit_post_consensus | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v14 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v15 |
| ef:activity/change/20260821T1554374006150000/292886 | altLabel | ef:agent/dedupe_altlabels | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v15 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v16 |
| ef:activity/change/20260821T1554374006150000/369094 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v16 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v17 |
| ef:activity/change/20260821T1554374006150000/392362 | properties | ef:agent/normalise_property_values | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v17 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v18 |
| ef:activity/change/20260821T1554374006150000/400794 | types | ef:agent/link_flows_to_their_substance | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v18 | ef:flow/d551ece2-462e-46b9-9454-e1ed5b7c4016/v19 |