Reaction Mass Of 1-(3-isopropylphenyl)-1-methylethyl Hydroperoxide And 1-(4-isopropylphenyl)-1-methylethyl Hydroperoxide
Everything that changed this flow. Back to the flow
781b7049-3542-431f-bb57-0836cf192b68
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 4 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=reactionmassof1-(3-isopropylphenyl)-1-methylethylhydroperoxideand1-(4-isopropylphenyl)-1-methylethylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; cas=26762-93-6; added Common Chemistry CAS names as altLabel: Bis(1-methylethyl)phenyl hydroperoxide, DBHP, Diisopropylphenyl hydroperoxide, Hydroperoxide, bis(1-methylethyl)phenyl, Hydroperoxide, diisopropylphenyl, Isopropylcumyl hydroperoxide, Luperox DH, Peroxan IHP 50; object_uuid=fo-08a932b2646c6f83 |
| cas_match_labels | 1 | consensus_match | group_key=reactionmassof1-(3-isopropylphenyl)-1-methylethylhydroperoxideand1-(4-isopropylphenyl)-1-methylethylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'26762-93-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-08a932b2646c6f83: {'26762-93-6': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['26762-93-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[11229333, 15582050, 17764890, 19830371, 57376481, 73555666]; selected_pubchem_cids=[17764890, 19830371, 57376481, 73555666]; 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 |
|---|---|---|---|---|---|
| 6,018 | bootstrap_labels | prefLabel | — | [{"@value":"reaction mass of 1-(3-isopropylphenyl)-1-methylethyl hydroperoxide and 1-(4-isopropylphenyl)-1-methylethyl… | Bootstrapped prefLabel from legacy name field |
| 6,019 | bootstrap_labels | name | reaction mass of 1-(3-isopropylphenyl)-1-methylethyl hydroperoxide and 1-(4-isopropylphenyl)-1-methylethyl hydroperoxide | — | Purged legacy name field to enforce prefLabel usage |
| 6,020 | bootstrap_labels | synonyms | ["organic","diisopropylbenzenehydroperoxide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 121,256 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 121,257 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,349 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,482 | normalize_name_case | prefLabel | [{"@value":"reaction mass of 1-(3-isopropylphenyl)-1-methylethyl hydroperoxide and 1-(4-isopropylphenyl)-1-methylethyl… | [{"@value":"Reaction Mass Of 1-(3-isopropylphenyl)-1-methylethyl Hydroperoxide And 1-(4-isopropylphenyl)-1-methylethyl… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,967 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 232,968 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,969 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J147.366B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['26762-93-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[11229333, 15582050, 17764890, 19830371, 57376481, 73555666]; selected_pubchem_cids=[17764890, 19830371, 57376481, 73555666]; 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 |
| 249,984 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | rdkit_pre_consensus from 'CC(C)C1=C(C(=CC=C1)OO)C(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,315 | consensus_match | altLabel | [] | [{"@value":"Bis(1-methylethyl)phenyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=reactionmassof1-(3-isopropylphenyl)-1-methylethylhydroperoxideand1-(4-isopropylphenyl)-1-methylethylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; cas=26762-93-6; added Common Chemistry CAS names as altLabel: Bis(1-methylethyl)phenyl hydroperoxide, DBHP, Diisopropylphenyl hydroperoxide, Hydroperoxide, bis(1-methylethyl)phenyl, Hydroperoxide, diisopropylphenyl, Isopropylcumyl hydroperoxide, Luperox DH, Peroxan IHP 50; object_uuid=fo-08a932b2646c6f83 |
| 271,316 | consensus_match | cas_match_labels | — | {"26762-93-6":"exactMatch"} | group_key=reactionmassof1-(3-isopropylphenyl)-1-methylethylhydroperoxideand1-(4-isopropylphenyl)-1-methylethylhydroperoxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'26762-93-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-08a932b2646c6f83: {'26762-93-6': 'exactMatch'} |
| 275,118 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(1-methylethyl)phenyl hydroperoxide' |
| 281,615 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | rdkit_post_consensus from 'CC(C)c1cccc(OO)c1C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,847 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18O2",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| 341,626 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/781b7049-3542-… | associations resolved on the elementary layer |
| 396,571 | 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/20260821T1554374006150000/6018 | prefLabel | ef:agent/bootstrap_labels | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v0 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v1 |
| ef:activity/change/20260821T1554374006150000/6019 | name | ef:agent/bootstrap_labels | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v1 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v2 |
| ef:activity/change/20260821T1554374006150000/6020 | synonyms | ef:agent/bootstrap_labels | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v2 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v3 |
| ef:activity/change/20260821T1554374006150000/121256 | context | ef:agent/default_context_mapping | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v3 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v4 |
| ef:activity/change/20260821T1554374006150000/121257 | context_iri | ef:agent/default_context_mapping | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v4 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v5 |
| ef:activity/change/20260821T1554374006150000/215349 | unit_iri | ef:agent/unit_normalization | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v5 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v6 |
| ef:activity/change/20260821T1554374006150000/222482 | prefLabel | ef:agent/normalize_name_case | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v6 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v7 |
| ef:activity/change/20260821T1554374006150000/232967 | properties | ef:agent/enrich_references | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v7 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v8 |
| ef:activity/change/20260821T1554374006150000/232968 | skos_definition | ef:agent/enrich_references | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v8 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v9 |
| ef:activity/change/20260821T1554374006150000/232969 | references | ef:agent/enrich_references | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v9 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v10 |
| ef:activity/change/20260821T1554374006150000/249984 | properties | ef:agent/rdkit_pre_consensus | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v10 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v11 |
| ef:activity/change/20260821T1554374006150000/271315 | altLabel | ef:agent/consensus_match | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v11 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v12 |
| ef:activity/change/20260821T1554374006150000/271316 | cas_match_labels | ef:agent/consensus_match | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v12 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v13 |
| ef:activity/change/20260821T1554374006150000/275118 | properties | ef:agent/opsin_iupac | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v13 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v14 |
| ef:activity/change/20260821T1554374006150000/281615 | properties | ef:agent/rdkit_post_consensus | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v14 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v15 |
| ef:activity/change/20260821T1554374006150000/286847 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v15 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v16 |
| ef:activity/change/20260821T1554374006150000/341626 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v16 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v17 |
| ef:activity/change/20260821T1554374006150000/396571 | types | ef:agent/link_flows_to_their_substance | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v17 | ef:flow/781b7049-3542-431f-bb57-0836cf192b68/v18 |