Tert-butyl 3,5,5-tris(methylperoxy)hexanoate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-799d3bb72aab1767
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,423 | bootstrap_labels | prefLabel | — | [{"@value":"tert-butyl 3,5,5-tris(methylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 20,424 | bootstrap_labels | name | tert-butyl 3,5,5-tris(methylperoxy)hexanoate | — | Purged legacy name field to enforce prefLabel usage |
| 20,425 | bootstrap_labels | synonyms | ["organic","tert-butyl3,5,5-trimethylperoxyhexanoate","3,5,5-trimethylhexaneperoxoicacid1,1-dimethylethylester","hexane… | [] | Removed legacy synonyms field in favor of structured labels |
| 67,590 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 67,591 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 85,298 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 85,299 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 87,218 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 87,219 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 100,778 | 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 |
| 100,779 | 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 |
| 102,962 | 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 |
| 102,963 | 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 |
| 110,692 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 110,693 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 113,892 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 113,893 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 127,500 | 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 |
| 127,501 | 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 |
| 140,572 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 140,573 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 151,466 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 151,467 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 166,756 | 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 |
| 166,757 | 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 |
| 197,168 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 197,169 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 198,724 | 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 |
| 198,725 | 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 |
| 219,953 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,720 | normalize_name_case | prefLabel | [{"@value":"tert-butyl 3,5,5-tris(methylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Tert-butyl 3,5,5-tris(methylperoxy)hexanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,050 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,051 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,052 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.395H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['13122-18-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[114465, 195090, 21900094, 53421917, 91617955]; selected_pubchem_cids=[114465]; 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 |
| 253,759 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | rdkit_pre_consensus from 'CC(CC(=O)OOC(C)(C)C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 272,312 | consensus_match | altLabel | [] | [{"@value":"<em>tert</em>-Butyl 3,5,5-trimethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=tert-butyl3,5,5-tris(methylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Long-term; cas=13122-18-4; added Common Chemistry CAS names as altLabel: <em>tert</em>-Butyl 3,5,5-trimethylhexaneperoxoate, <em>tert</em>-Butyl 3,5,5-trimethylhexanoyl peroxide, <em>tert</em>-Butyl 3,5,5-trimethylperoxyhexanoate, <em>tert</em>-Butyl peroxy-3,5,5-trimethylhexanoate, Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester, Luperox 270, Perbutyl 355, Peroxan PIN, Peroxyhexanoic acid, 3,5,5-trimethyl-, <em>tert</em>-butyl ester, Trigonox 42, Trigonox 42-40B, Trigonox 42-50PS, Trigonox 42PR, Trigonox 42S; object_uuid=fo-799d3bb72aab1767 |
| 272,313 | consensus_match | cas_match_labels | — | {"13122-18-4":"exactMatch"} | group_key=tert-butyl3,5,5-tris(methylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'13122-18-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-799d3bb72aab1767: {'13122-18-4': 'exactMatch'} |
| 278,963 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'tert-Butyl 3,5,5-trimethylhexaneperoxoate' |
| 285,780 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O3"]… | rdkit_post_consensus from 'CC(CC(=O)OOC(C)(C)C)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,320 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>tert</em>-Butyl 3,5,5-trimethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"tert-Butyl 3,5,5-trimethylhexaneperoxoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 2 catalogue altLabel value(s): 'Luperox 270' (trade name), 'Perbutyl 355' (trade name) |
| 314,810 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2e7e5a60-17c3-… | associations resolved on the elementary layer |
| 323,662 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4a2cd96c-1069-… | associations resolved on the elementary layer |
| 324,623 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d811755-0a25-… | associations resolved on the elementary layer |
| 331,384 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/55b22479-3560-… | associations resolved on the elementary layer |
| 332,476 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5980c9df-f85f-… | associations resolved on the elementary layer |
| 336,343 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6646314b-ef02-… | associations resolved on the elementary layer |
| 337,943 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6ba262f6-942e-… | associations resolved on the elementary layer |
| 344,750 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/82c72750-2932-… | associations resolved on the elementary layer |
| 351,285 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/98db4dba-d95c-… | associations resolved on the elementary layer |
| 356,754 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aaeda95f-71de-… | associations resolved on the elementary layer |