2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-5e7753f7a7dbed0d
Changes
54| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,091 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Bootstrapped prefLabel from legacy name field |
| 16,092 | bootstrap_labels | name | 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 16,093 | bootstrap_labels | synonyms | ["organic","reactionmassof2,2,4-trimethylhexa-1,6-diyldiisocyanateand2,4,4-trimethylhexa-1,6-diyldiisocyanate","vestana… | [] | Removed legacy synonyms field in favor of structured labels |
| 53,014 | 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 |
| 53,015 | 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 |
| 62,052 | 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 |
| 62,053 | 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 |
| 67,798 | 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) |
| 67,799 | 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) |
| 68,588 | 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 |
| 68,589 | 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 |
| 73,538 | 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 |
| 73,539 | 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 |
| 85,718 | 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 |
| 85,719 | 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 |
| 101,064 | 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 |
| 101,065 | 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 |
| 133,320 | 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 |
| 133,321 | 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 |
| 153,452 | 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 |
| 153,453 | 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 |
| 159,198 | 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 |
| 159,199 | 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 |
| 160,366 | 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) |
| 160,367 | 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) |
| 170,198 | 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 |
| 170,199 | 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 |
| 182,484 | 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 |
| 182,485 | 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 |
| 218,625 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,330 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,331 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,332 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.138A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['32052-51-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[61858, 3033881, 21987741]; selected_pubchem_cids=[61858]; 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 |
| 252,687 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | rdkit_pre_consensus from 'CC(CCN=C=O)CC(C)(C)CN=C=O'; added: molecular_mass, monoisotopic_mass |
| 259,552 | consensus_match | altLabel | [] | [{"@value":"1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate||dimension=Environmental > media=Ground > geography=Unknown; cas=32052-51-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane, 2,2(4),4-Trimethylhexane-1,6-diisocyaanate, 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate, 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate, 2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate, Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-, Isocyanic acid, trimethylhexamethylene ester, TMDI, TMHDI; object_uuid=fo-5e7753f7a7dbed0d |
| 259,553 | consensus_match | cas_match_labels | — | {"32052-51-0":"exactMatch"} | group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'32052-51-0': []}; assigned CAS labels from group consensus; object_uuid=fo-5e7753f7a7dbed0d: {'32052-51-0': 'exactMatch'} |
| 277,890 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isocyanic acid, trimethylhexamethylene ester' |
| 284,598 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | rdkit_post_consensus from 'CC(CCCCN=C=O)C(C)(C)N=C=O'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,065 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18N2O2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,856 | dedupe_altlabels | altLabel | [{"@value":"1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | [{"@value":"1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | Deduplicated altLabel values and removed entries matching prefLabel |
| 307,527 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1904aa76-6eff-… | associations resolved on the elementary layer |
| 312,038 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/26a08785-4e0a-… | associations resolved on the elementary layer |
| 314,909 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2ecefc66-881f-… | associations resolved on the elementary layer |
| 315,304 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/301a620c-6d68-… | associations resolved on the elementary layer |
| 317,778 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/37751f41-6499-… | associations resolved on the elementary layer |
| 323,867 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4af61c3e-9999-… | associations resolved on the elementary layer |
| 331,522 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/563d42b9-3f95-… | associations resolved on the elementary layer |
| 347,648 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8c53751b-ece9-… | associations resolved on the elementary layer |
| 357,742 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ae37b77f-6282-… | associations resolved on the elementary layer |
| 360,616 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b84dafc9-e8a5-… | associations resolved on the elementary layer |