Isophorone diisocyanate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-28f415ff29fd221c
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,804 | bootstrap_labels | prefLabel | — | [{"@value":"3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 19,805 | bootstrap_labels | name | 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 19,806 | bootstrap_labels | synonyms | ["2-isocyanato-1-(isocyanatomethyl)-1,5,5-trimethylcyclohexane","AC1L2FFB"] | [] | Removed legacy synonyms field in favor of structured labels |
| 24,247 | bootstrap_labels | synonyms | ["3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate","isophoronedi-isocyanate","isophorone diisocyanate","cyclohex… | [] | Removed legacy synonyms field in favor of structured labels |
| 64,748 | 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) |
| 64,749 | 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) |
| 74,768 | 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 |
| 74,769 | 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 |
| 80,952 | 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 |
| 80,953 | 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 |
| 103,408 | 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 |
| 103,409 | 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 |
| 121,906 | 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 |
| 121,907 | 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 |
| 122,380 | 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 |
| 122,381 | 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 |
| 136,090 | 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 |
| 136,091 | 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 |
| 136,518 | 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 |
| 136,519 | 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 |
| 143,312 | 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 |
| 143,313 | 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 |
| 160,996 | 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 |
| 160,997 | 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 |
| 168,078 | 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 |
| 168,079 | 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 |
| 171,564 | 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) |
| 171,565 | 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) |
| 189,678 | 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 |
| 189,679 | 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 |
| 219,774 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,591 | normalize_name_case | prefLabel | [{"@value":"3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"3-isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,550 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 245,551 | enrich_references | skos_definition | — | [{"@value":"A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.","@language":"en… | Merged ChEBI/PubChem definitions into skos:definition |
| 245,552 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.651B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['4098-71-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53214']; candidate_pubchem_cids=[169132, 15034904, 21298402]; selected_pubchem_cids=[169132]; 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 |
| 253,611 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | rdkit_pre_consensus from 'CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1'; added: monoisotopic_mass |
| 256,953 | chebi_altlabels | altLabel | [] | [{"@value":"3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"c… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,050 | consensus_match | prefLabel | [{"@value":"3-isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"Isophorone diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | cas=4098-71-9; cc_chebi_agreed_name='Isophorone diisocyanate'; object_uuid=fo-28f415ff29fd221c |
| 262,051 | consensus_match | altLabel | [{"@value":"3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"c… | cas=4098-71-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-28f415ff29fd221c |
| 262,052 | consensus_match | altLabel | [{"@value":"3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate||dimension=Environmental > media=Water > water_body=Long-term; cas=4098-71-9; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane, 1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane, 1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane, 1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane, 1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane, 1-Isocyanatomethyl-3-isocyanato-1,5,5-trimethylcyclohexane, 3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate, 3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate, Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, PDI; object_uuid=fo-28f415ff29fd221c |
| 262,053 | consensus_match | cas_match_labels | — | {"4098-71-9":"exactMatch"} | group_key=3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4098-71-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-28f415ff29fd221c: {'4098-71-9': 'exactMatch'} |
| 278,827 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isophorone diisocyanate' |
| 285,624 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H18N2O2… | rdkit_post_consensus from 'CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 313,392 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/299e55cd-efb8-… | associations resolved on the elementary layer |
| 318,400 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3987792d-e2b2-… | associations resolved on the elementary layer |
| 321,489 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/427e3262-573e-… | associations resolved on the elementary layer |
| 332,701 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a430a5c-ad7a-… | associations resolved on the elementary layer |
| 341,951 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/79467731-4348-… | associations resolved on the elementary layer |
| 342,188 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7a2289b7-54ff-… | associations resolved on the elementary layer |
| 349,041 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/91506a34-702f-… | associations resolved on the elementary layer |