1,2,4-Benzenetricarboxylic Acid, Decyl Octyl Ester
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-24b648c8f188bf9f
Changes
64| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,176 | bootstrap_labels | prefLabel | — | [{"@value":"1,2,4-Benzenetricarboxylic acid, decyl octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 17,177 | bootstrap_labels | name | 1,2,4-Benzenetricarboxylic acid, decyl octyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 17,178 | bootstrap_labels | synonyms | ["2-[(decyloxy)carbonyl]-5-[(octyloxy)carbonyl]benzoic acid","2-decoxycarbonyl-5-octoxycarbonylbenzoic acid","AC1L3011"… | [] | Removed legacy synonyms field in favor of structured labels |
| 24,636 | bootstrap_labels | prefLabel | — | [{"@value":"1,2,4-benzenetricarboxylic acid, decyl octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 24,637 | bootstrap_labels | name | 1,2,4-benzenetricarboxylic acid, decyl octyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 24,638 | bootstrap_labels | synonyms | ["1,2,4-benzenetricarboxylicacid,decyloctylester","3-[(decyloxy)carbonyl]-4-[(octyloxy)carbonyl]benzoicacid","2-[(decyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 55,461 | 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) |
| 55,462 | 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) |
| 60,155 | 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 |
| 60,156 | 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 |
| 66,483 | 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 |
| 66,484 | 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 |
| 66,507 | 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 |
| 66,508 | 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 |
| 80,779 | 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) |
| 80,780 | 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) |
| 86,981 | 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 |
| 86,982 | 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 |
| 105,153 | 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 |
| 105,154 | 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 |
| 108,851 | 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 |
| 108,852 | 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 |
| 147,403 | 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 |
| 147,404 | 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 |
| 167,883 | 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 |
| 167,884 | 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 |
| 171,019 | 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 |
| 171,020 | 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 |
| 197,077 | 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 |
| 197,078 | 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 |
| 199,457 | 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 |
| 199,458 | 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 |
| 218,971 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,026 | normalize_name_case | prefLabel | [{"@value":"1,2,4-Benzenetricarboxylic acid, decyl octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"1,2,4-Benzenetricarboxylic Acid, Decyl Octyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,470 | normalize_name_case | prefLabel | [{"@value":"1,2,4-benzenetricarboxylic acid, decyl octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"1,2,4-benzenetricarboxylic Acid, Decyl Octyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,295 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,296 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,297 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=67989-23-5","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['67989-23-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[87203, 106287, 517692, 21119788, 66651667, 156594894, 170853544]; selected_pubchem_cids=[156594894]; 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 |
| 252,961 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | rdkit_pre_consensus from 'CCCCCCCCCCO.CCCCCCCCO.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 258,296 | consensus_match | altLabel | [] | [{"@value":"Decyl octyl 1,2,4-benzenetricarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=1,2,4-benzenetricarboxylicacid,decyloctylester||dimension=Environmental > media=Water > water_body=Long-term; cas=67989-23-5; added Common Chemistry CAS names as altLabel: Decyl octyl 1,2,4-benzenetricarboxylate, Octyl decyl trimellitate, Trimex N 08, Trimex N 080; object_uuid=fo-24b648c8f188bf9f |
| 258,297 | consensus_match | cas_match_labels | — | {"67989-23-5":"exactMatch"} | group_key=1,2,4-benzenetricarboxylicacid,decyloctylester||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67989-23-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-24b648c8f188bf9f: {'67989-23-5': 'exactMatch'} |
| 278,164 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2,4-Benzenetricarboxylic Acid, Decyl Octyl Ester' |
| 279,674 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2,4-benzenetricarboxylic Acid, Decyl Octyl Ester' |
| 284,905 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H41O6-"… | rdkit_post_consensus from 'CCCCCCCCCCOC(=O)c1ccc(C(=O)[O-])cc1C(=O)OCCCCCCCC'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,560 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H46O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H41O6-"… | rdkit_post_consensus from 'CCCCCCCCCCOC(=O)c1ccc(C(=O)[O-])cc1C(=O)OCCCCCCCC'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,116 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H41O6-"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H41O6-"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,241 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H41O6-"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H41O6-"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 308,797 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1d029f3b-abc8-… | associations resolved on the elementary layer |
| 311,135 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/235dd747-a9ff-… | associations resolved on the elementary layer |
| 314,297 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2c7ee335-3076-… | associations resolved on the elementary layer |