Bis(isopropyl)naphthalene
Everything that changed this flow. Back to the flow
5a0987dd-e723-4abf-ab59-89cab211d953
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'K 113' (grade code), 'KMC 113' (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=bis(isopropyl)naphthalene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'38640-62-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-41bb85171117ee96: {'38640-62-9': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['38640-62-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[117971, 3023651]; selected_pubchem_cids=[117971]; 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 |
|---|---|---|---|---|---|
| 2,109 | bootstrap_labels | prefLabel | — | [{"@value":"bis(isopropyl)naphthalene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 2,110 | bootstrap_labels | name | bis(isopropyl)naphthalene | — | Purged legacy name field to enforce prefLabel usage |
| 20,903 | bootstrap_labels | synonyms | ["bis(isopropyl)naphthalene","diisopropylnaphthalene","naphthalene, bis(1-methylethyl)-","bis(1-methylethyl)naphthalene… | [] | Removed legacy synonyms field in favor of structured labels |
| 103,292 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 103,293 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,042 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,580 | normalize_name_case | prefLabel | [{"@value":"bis(isopropyl)naphthalene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"Bis(isopropyl)naphthalene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,207 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,208 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,209 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.499E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['38640-62-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[117971, 3023651]; selected_pubchem_cids=[117971]; 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 |
| 248,900 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | rdkit_pre_consensus from 'CC(C)C1=CC=CC2=C1C=CC=C2C(C)C'; added: molecular_mass, monoisotopic_mass |
| 264,372 | consensus_match | altLabel | [] | [{"@value":"Bis(1-methylethyl)naphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=bis(isopropyl)naphthalene||dimension=Environmental > media=Water > water_body=Ocean; cas=38640-62-9; added Common Chemistry CAS names as altLabel: Bis(1-methylethyl)naphthalene, Diisopropylnaphthalene, K 113, KMC 113, KMC-R 113, Naphthalene, bis(1-methylethyl)-, Naphthalene, diisopropyl-, Reutasolv DI, Rutasolv DI; object_uuid=fo-41bb85171117ee96 |
| 264,373 | consensus_match | cas_match_labels | — | {"38640-62-9":"exactMatch"} | group_key=bis(isopropyl)naphthalene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'38640-62-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-41bb85171117ee96: {'38640-62-9': 'exactMatch'} |
| 274,021 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(isopropyl)naphthalene' |
| 280,426 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | rdkit_post_consensus from 'CC(C)c1ccc2ccccc2c1C(C)C'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,754 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H20"],"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,675 | strip_catalogue_altlabels | altLabel | [{"@value":"Bis(1-methylethyl)naphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"Bis(1-methylethyl)naphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Removed 2 catalogue altLabel value(s): 'K 113' (grade code), 'KMC 113' (grade code) |
| 332,643 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a0987dd-e723-… | associations resolved on the elementary layer |
| 394,988 | 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/20260822T0600486828500000/2109 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v0 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v1 |
| ef:activity/change/20260822T0600486828500000/2110 | name | ef:agent/bootstrap_labels | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v1 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v2 |
| ef:activity/change/20260822T0600486828500000/20903 | synonyms | ef:agent/bootstrap_labels | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v2 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v3 |
| ef:activity/change/20260822T0600486828500000/103292 | context | ef:agent/default_context_mapping | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v3 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v4 |
| ef:activity/change/20260822T0600486828500000/103293 | context_iri | ef:agent/default_context_mapping | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v4 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v5 |
| ef:activity/change/20260822T0600486828500000/214042 | unit_iri | ef:agent/unit_normalization | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v5 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v6 |
| ef:activity/change/20260822T0600486828500000/221580 | prefLabel | ef:agent/normalize_name_case | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v6 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v7 |
| ef:activity/change/20260822T0600486828500000/229207 | properties | ef:agent/enrich_references | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v7 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v8 |
| ef:activity/change/20260822T0600486828500000/229208 | skos_definition | ef:agent/enrich_references | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v8 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v9 |
| ef:activity/change/20260822T0600486828500000/229209 | references | ef:agent/enrich_references | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v9 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v10 |
| ef:activity/change/20260822T0600486828500000/248900 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v10 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v11 |
| ef:activity/change/20260822T0600486828500000/264372 | altLabel | ef:agent/consensus_match | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v11 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v12 |
| ef:activity/change/20260822T0600486828500000/264373 | cas_match_labels | ef:agent/consensus_match | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v12 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v13 |
| ef:activity/change/20260822T0600486828500000/274021 | properties | ef:agent/opsin_iupac | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v13 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v14 |
| ef:activity/change/20260822T0600486828500000/280426 | properties | ef:agent/rdkit_post_consensus | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v14 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v15 |
| ef:activity/change/20260822T0600486828500000/286754 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v15 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v16 |
| ef:activity/change/20260822T0600486828500000/287675 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v16 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v17 |
| ef:activity/change/20260822T0600486828500000/332643 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v17 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v18 |
| ef:activity/change/20260822T0600486828500000/394988 | types | ef:agent/link_flows_to_their_substance | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v18 | ef:flow/5a0987dd-e723-4abf-ab59-89cab211d953/v19 |