1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
Everything that changed this flow. Back to the flow
c8a16850-3229-45b5-a83e-4ca38bc847db
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, strip_catalogue_altlabels | Removed 10 catalogue altLabel value(s): 'CH 335' (grade code), 'Irgacure 335' (trade name), 'Luperco 231G' (trade name), 'Luperox 231' (trade name), 'Lupersol 231' (trade name), 'TM 40B' (grade code), 'TMCH 40' (grade code), 'Tx 29' (grade code), 'USP 495D' (grade code), 'Varox 231' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6731-36-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-32808f044e5df211: {'6731-36-8': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6731-36-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[6365, 93038, 94848344]; selected_pubchem_cids=[93038]; 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 |
|---|---|---|---|---|---|
| 14,802 | bootstrap_labels | prefLabel | — | [{"@value":"1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"boo… | Bootstrapped prefLabel from legacy name field |
| 14,803 | bootstrap_labels | name | 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane | — | Purged legacy name field to enforce prefLabel usage |
| 14,804 | bootstrap_labels | synonyms | ["organic","di-tert-butyl3,3,5-trimethylcyclohexylidenediperoxide","enoxâ®tmch","tmch","trigonox29"] | [] | Removed legacy synonyms field in favor of structured labels |
| 168,628 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 168,629 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 218,219 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,182 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,183 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,184 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.090B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['6731-36-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[6365, 93038, 94848344]; selected_pubchem_cids=[93038]; 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 |
| 252,349 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | rdkit_pre_consensus from 'CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 258,184 | consensus_match | altLabel | [] | [{"@value":"1,1,5-Trimethyl-3,3-bis(<em>tert</em>-butylperoxy)cyclohexane","@language":"en","source":{"prov:wasGenerate… | group_key=1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane||dimension=Environmental > media=Water > water_body=Unknown; cas=6731-36-8; added Common Chemistry CAS names as altLabel: 1,1,5-Trimethyl-3,3-bis(<em>tert</em>-butylperoxy)cyclohexane, 1,1-Bis(1,1-dimethylethylperoxy)-3,3,5-trimethylcyclohexane, 1,1-Bis(<em>tert</em>-butyl)-3,3,5-trimethylcyclohexane peroxide, 1,1-Bis(<em>tert</em>-butyldioxy)-3,3,5-trimethylcyclohexane, 1,1-Bis(<em>tert</em>-butyloxy-oxy)3,3,5-trimethylcyclohexane, 1,1-Bis(<em>tert</em>-butylperoxy)-3,5,5-trimethylcyclohexane, 1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane, 1,1-Di(<em>t</em>-butylperoxy)-3,3,5-trimethylcyclohexane, 1,1-Di(di-<em>tert</em>-butyl peroxy)-3,3,5-trimethylcyclohexane, 1,1-Di-<em>tert</em>-butylperoxy-3,3,5-trimethylcyclohexane, 1,1-Di-<em>tert</em>-butylperoxy-3,5,5-trimethylcyclohexane, 1,1′-(3,3,5-Trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) peroxide], 1,2-<em>tert</em>-Butyl 3,3,5-trimethylcyclohexane peroxide, 3,3,5-Trimethyl-1,1-bis(<em>tert</em>-butylperoxy)cyclohexane, 3M, <em>gem</em>-Bis(<em>tert</em>-butylperoxy)-3,3,5-trimethylcyclohexane, <em>gem</em>-Di-<em>tert</em>-butylperoxy-3,3,5-trimethylcyclohexane, CH 335, Interox TMCH 40IC, Irgacure 335, Link-Cup TMCH, Luperco 231G, Luperco 231G40, Luperco 231XL, Luperco 231XLP, Luperox 231, Luperox 231-50, Luperox 231M90, Luperox 231P75, Luperox 231XL, Luperox 231XL40SP, Lupersol 230XL, Lupersol 231, Lupersol L 231, Perhexa 3M, Perhexa 3M40, Perhexa 3M40V, Peroxan PK 295V, Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl), Peroxide, (3,3,5-trimethylcyclohexylidene)bis[<em>tert</em>-butyl, Peroxide, 1,1′-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl), Sanperox CY 1.1, TM 40B, TMCH, TMCH 40, TX 29/40, TX 29B50, Trigonox 29, Trigonox 29-40B-GR, Trigonox 29-40B-GR-E, Trigonox 29-40B-PD, Trigonox 29/40, Trigonox 29/40MB, Trigonox 29A, Trigonox 29B50, Trigonox 29B75, Trigonox 29B90, Trigonox 29C75, Trigonox 29E90, Tx 29, USP 495D, Varox 231, Varox 231XL, Varox 231XL40; object_uuid=fo-32808f044e5df211 |
| 258,185 | consensus_match | cas_match_labels | — | {"6731-36-8":"exactMatch"} | group_key=1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6731-36-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-32808f044e5df211: {'6731-36-8': 'exactMatch'} |
| 277,540 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane' |
| 284,232 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | rdkit_post_consensus from 'CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,280 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,5-Trimethyl-3,3-bis(<em>tert</em>-butylperoxy)cyclohexane","@language":"en","source":{"prov:wasGenerate… | [{"@value":"1,1,5-Trimethyl-3,3-bis(tert-butylperoxy)cyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"con… | Removed 10 catalogue altLabel value(s): 'CH 335' (grade code), 'Irgacure 335' (trade name), 'Luperco 231G' (trade name), 'Luperox 231' (trade name), 'Lupersol 231' (trade name), 'TM 40B' (grade code), 'TMCH 40' (grade code), 'Tx 29' (grade code), 'USP 495D' (grade code), 'Varox 231' (trade name) |
| 365,333 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c8a16850-3229-… | associations resolved on the elementary layer |
| 391,892 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34O4"]… | typed the way the ontology types it |
| 400,125 | 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/20260820T1812399309960000/14802 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v0 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v1 |
| ef:activity/change/20260820T1812399309960000/14803 | name | ef:agent/bootstrap_labels | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v1 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v2 |
| ef:activity/change/20260820T1812399309960000/14804 | synonyms | ef:agent/bootstrap_labels | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v2 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v3 |
| ef:activity/change/20260820T1812399309960000/168628 | context | ef:agent/default_context_mapping | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v3 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v4 |
| ef:activity/change/20260820T1812399309960000/168629 | context_iri | ef:agent/default_context_mapping | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v4 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v5 |
| ef:activity/change/20260820T1812399309960000/218219 | unit_iri | ef:agent/unit_normalization | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v5 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v6 |
| ef:activity/change/20260820T1812399309960000/241182 | properties | ef:agent/enrich_references | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v6 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v7 |
| ef:activity/change/20260820T1812399309960000/241183 | skos_definition | ef:agent/enrich_references | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v7 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v8 |
| ef:activity/change/20260820T1812399309960000/241184 | references | ef:agent/enrich_references | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v8 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v9 |
| ef:activity/change/20260820T1812399309960000/252349 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v9 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v10 |
| ef:activity/change/20260820T1812399309960000/258184 | altLabel | ef:agent/consensus_match | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v10 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v11 |
| ef:activity/change/20260820T1812399309960000/258185 | cas_match_labels | ef:agent/consensus_match | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v11 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v12 |
| ef:activity/change/20260820T1812399309960000/277540 | properties | ef:agent/opsin_iupac | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v12 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v13 |
| ef:activity/change/20260820T1812399309960000/284232 | properties | ef:agent/rdkit_post_consensus | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v13 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v14 |
| ef:activity/change/20260820T1812399309960000/290280 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v14 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v15 |
| ef:activity/change/20260820T1812399309960000/365333 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v15 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v16 |
| ef:activity/change/20260820T1812399309960000/391892 | properties | ef:agent/normalise_property_values | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v16 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v17 |
| ef:activity/change/20260820T1812399309960000/400125 | types | ef:agent/link_flows_to_their_substance | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v17 | ef:flow/c8a16850-3229-45b5-a83e-4ca38bc847db/v18 |