Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And 1,1,3,3-tetramethylbutyl Hydroperoxide
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-a80d3eed8017b809
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,379 | bootstrap_labels | prefLabel | — | [{"@value":"reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and 1,1,3,3-t… | Bootstrapped prefLabel from legacy name field |
| 18,380 | bootstrap_labels | name | reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and 1,1,3,3-tetramethylbu… | — | Purged legacy name field to enforce prefLabel usage |
| 18,381 | bootstrap_labels | synonyms | ["organic","1,1,3,3-tetramethylbutylperoxyneodecanoate","trigonox423"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,092 | 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 |
| 59,093 | 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 |
| 101,856 | 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 |
| 101,857 | 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 |
| 112,538 | 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 |
| 112,539 | 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 |
| 124,698 | 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 |
| 124,699 | 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 |
| 133,114 | 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 |
| 133,115 | 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 |
| 148,196 | 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 |
| 148,197 | 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 |
| 149,924 | 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 |
| 149,925 | 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 |
| 151,846 | 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) |
| 151,847 | 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) |
| 152,048 | 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 |
| 152,049 | 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 |
| 164,280 | 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 |
| 164,281 | 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 |
| 175,240 | 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 |
| 175,241 | 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 |
| 179,738 | 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) |
| 179,739 | 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) |
| 191,542 | 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 |
| 191,543 | 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 |
| 219,347 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,283 | normalize_name_case | prefLabel | [{"@value":"reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and 1,1,3,3-t… | [{"@value":"Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And 1,1,3,3-t… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,362 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 244,363 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,364 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.871","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['51240-95-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[6452377, 57350359, 73557412, 87225207]; selected_pubchem_cids=[6452377, 73557412]; 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 |
| 253,269 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | rdkit_pre_consensus from 'CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,415 | consensus_match | altLabel | [] | [{"@value":"1,1,3,3-Tetramethylbutyl perneodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)and1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; cas=51240-95-0; added Common Chemistry CAS names as altLabel: 1,1,3,3-Tetramethylbutyl perneodecanoate, 1,1,3,3-Tetramethylbutyl peroxyneodecanoate, 2,4,4-Trimethylpentyl-2-peroxy neodecanoate, <em>tert</em>-Octyl peroxyneodecanoate, Luperox 810, Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester, Perocta ND, Trigonox 151, Trigonox 151C70, Trigonox 151W50, Trigonox 423, Trigonox 423C70; object_uuid=fo-a80d3eed8017b809 |
| 271,416 | consensus_match | cas_match_labels | — | {"51240-95-0":"exactMatch"} | group_key=reactionproductsofneodecanoicacid(orneodecanoylchloridederivedfromneodecanoicacid)and1,1,3,3-tetramethylbutylhydroperoxide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'51240-95-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a80d3eed8017b809: {'51240-95-0': 'exactMatch'} |
| 278,479 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,3,3-Tetramethylbutyl peroxyneodecanoate' |
| 285,243 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)OOC(C)(C)CC(C)(C)C'; added: inchi2d_key_string, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, molecular_formula |
| 287,124 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H34O4",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 290,954 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,3,3-Tetramethylbutyl perneodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1,1,3,3-Tetramethylbutyl perneodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 3 catalogue altLabel value(s): 'Luperox 810' (trade name), 'Trigonox 151' (trade name), 'Trigonox 423' (trade name) |
| 310,568 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21982dba-1b99-… | associations resolved on the elementary layer |
| 331,925 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/579b4de9-be02-… | associations resolved on the elementary layer |
| 337,268 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/695050fe-db1f-… | associations resolved on the elementary layer |
| 343,351 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7de56dd6-bd02-… | associations resolved on the elementary layer |
| 347,552 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8c07a17c-4a2e-… | associations resolved on the elementary layer |
| 355,120 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a55158d2-71b5-… | associations resolved on the elementary layer |
| 355,984 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a8576a06-d3c7-… | associations resolved on the elementary layer |
| 356,946 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ab8e02e4-73cf-… | associations resolved on the elementary layer |
| 357,047 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/abe0fe71-99d8-… | associations resolved on the elementary layer |