Di(propan-2-yl)benzene
Everything that changed this flow. Back to the flow
20ce0af0-3b4f-43be-94e6-2de383f6657f
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=di(propan-2-yl)benzene||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=25321-09-9; added Common Chemistry CAS names as altLabel: Benzene, bis(1-methylethyl)-, Benzene, diisopropyl-, Bis(1-methylethyl)benzene, Bis(isopropyl)benzene, Diisopropylbenzene; object_uuid=fo-e8da8a1c4d8c04bc |
| cas_match_labels | 1 | consensus_match | group_key=di(propan-2-yl)benzene||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'25321-09-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e8da8a1c4d8c04bc: {'25321-09-9': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25321-09-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11345, 23424232]; selected_pubchem_cids=[11345, 23424232]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 942 | bootstrap_labels | prefLabel | — | [{"@value":"di(propan-2-yl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 943 | bootstrap_labels | name | di(propan-2-yl)benzene | — | Purged legacy name field to enforce prefLabel usage |
| 944 | bootstrap_labels | synonyms | ["organic","diisopropylbenzene","benzene,bis(1-methylethyl)-","diisopropylbenzene(mixture)","diisopropylbenzene,allisom… | [] | Removed legacy synonyms field in favor of structured labels |
| 58,632 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 58,633 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,649 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,308 | normalize_name_case | prefLabel | [{"@value":"di(propan-2-yl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Di(propan-2-yl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,073 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 228,074 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,075 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.882K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25321-09-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11345, 23424232]; selected_pubchem_cids=[11345, 23424232]; 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 |
| 248,571 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | rdkit_pre_consensus from 'CC(C)C1=CC=C(C=C1)C(C)C.CC(C)C1=CC(=CC=C1)C(C)C.CC(C)C1=CC=CC=C1C(C)C'; added: molecular_mass, monoisotopic_mass |
| 265,615 | consensus_match | altLabel | [] | [{"@value":"Benzene, bis(1-methylethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=di(propan-2-yl)benzene||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=25321-09-9; added Common Chemistry CAS names as altLabel: Benzene, bis(1-methylethyl)-, Benzene, diisopropyl-, Bis(1-methylethyl)benzene, Bis(isopropyl)benzene, Diisopropylbenzene; object_uuid=fo-e8da8a1c4d8c04bc |
| 265,616 | consensus_match | cas_match_labels | — | {"25321-09-9":"exactMatch"} | group_key=di(propan-2-yl)benzene||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'25321-09-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e8da8a1c4d8c04bc: {'25321-09-9': 'exactMatch'} |
| 273,694 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Di(propan-2-yl)benzene' |
| 280,065 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | rdkit_post_consensus from 'CC(C)c1ccccc1C(C)C'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,724 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18","C… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 310,331 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/20ce0af0-3b4f-… | associations resolved on the elementary layer |
| 394,530 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T1812399309960000/942 | prefLabel | ef:agent/bootstrap_labels | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v0 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v1 |
| ef:activity/change/20260820T1812399309960000/943 | name | ef:agent/bootstrap_labels | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v1 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v2 |
| ef:activity/change/20260820T1812399309960000/944 | synonyms | ef:agent/bootstrap_labels | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v2 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v3 |
| ef:activity/change/20260820T1812399309960000/58632 | context | ef:agent/default_context_mapping | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v3 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v4 |
| ef:activity/change/20260820T1812399309960000/58633 | context_iri | ef:agent/default_context_mapping | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v4 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v5 |
| ef:activity/change/20260820T1812399309960000/213649 | unit_iri | ef:agent/unit_normalization | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v5 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v6 |
| ef:activity/change/20260820T1812399309960000/221308 | prefLabel | ef:agent/normalize_name_case | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v6 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v7 |
| ef:activity/change/20260820T1812399309960000/228073 | properties | ef:agent/enrich_references | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v7 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v8 |
| ef:activity/change/20260820T1812399309960000/228074 | skos_definition | ef:agent/enrich_references | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v8 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v9 |
| ef:activity/change/20260820T1812399309960000/228075 | references | ef:agent/enrich_references | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v9 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v10 |
| ef:activity/change/20260820T1812399309960000/248571 | properties | ef:agent/rdkit_pre_consensus | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v10 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v11 |
| ef:activity/change/20260820T1812399309960000/265615 | altLabel | ef:agent/consensus_match | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v11 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v12 |
| ef:activity/change/20260820T1812399309960000/265616 | cas_match_labels | ef:agent/consensus_match | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v12 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v13 |
| ef:activity/change/20260820T1812399309960000/273694 | properties | ef:agent/opsin_iupac | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v13 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v14 |
| ef:activity/change/20260820T1812399309960000/280065 | properties | ef:agent/rdkit_post_consensus | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v14 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v15 |
| ef:activity/change/20260820T1812399309960000/286724 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v15 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v16 |
| ef:activity/change/20260820T1812399309960000/310331 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v16 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v17 |
| ef:activity/change/20260820T1812399309960000/394530 | types | ef:agent/link_flows_to_their_substance | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v17 | ef:flow/20ce0af0-3b4f-43be-94e6-2de383f6657f/v18 |