← Back to consensus flows

Isophorone diisocyanate

UUID bb8654f8-e98e-4598-88e2-70e85312d37d
Flow Object IDfo-28f415ff29fd221c
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 4098-71-9
EC Numbers 223-861-6
prefLabel ⓘ
Language Value Provenance
en Isophorone diisocyanate
altLabel ⓘ
Language Value Provenance
en 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate
en 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
en IPDI
en Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester
en Isophorone diamine diisocyanate
en 1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane
en 1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane
en 1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane
en 1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane
en 1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane
en 1-Isocyanatomethyl-3-isocyanato-1,5,5-trimethylcyclohexane
en 3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate
en 3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate
en Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-
en PDI
Definitions
Language Value Provenance
en A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey NIMLQBUJDJZYEJ-UHFFFAOYSA-N
InChI InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
IUPAC name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Molecular formula C12H18N2O2
Molecular mass 222.288
Monoisotopic mass 222.13683
SMILES CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1, CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 bb8654f8-e98e-4598-88e2-70e85312d37d 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate||dimension=Environmental > media=Water > water_body=Unknown; 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
cas_match_labels 1 — consensus_match group_key=3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate||dimension=Environmental > media=Water > water_body=Unknown; 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'}
prefLabel 1 — consensus_match cas=4098-71-9; cc_chebi_agreed_name='Isophorone diisocyanate'; object_uuid=fo-28f415ff29fd221c

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3-isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Isophorone diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=4098-71-9; cc_chebi_agreed_name='Isophorone diisocyanate'; object_uuid=fo-28f415ff29fd221c
altLabel [{'@value': '3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPDI', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophorone diamine diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophorone diamine diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophorone diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophorone diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPDI', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophorone diamine diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophorone diamine diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=4098-71-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-28f415ff29fd221c
altLabel [{'@value': '3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPDI', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophorone diamine diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophorone diamine diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-isocyanatomethyl-3,5,5-trimethylcyclohexyl Isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPDI', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophorone diamine diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophorone diamine diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53214', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanatomethyl-3-isocyanato-1,5,5-trimethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4098-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=4098-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate||dimension=Environmental > media=Water > water_body=Unknown; 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
cas_match_labels None {'4098-71-9': 'exactMatch'} group_key=3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate||dimension=Environmental > media=Water > water_body=Unknown; 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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "bb8654f8-e98e-4598-88e2-70e85312d37d",
  "name": null,
  "cas_numbers": [
    "4098-71-9"
  ],
  "ec_numbers": [
    "223-861-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.4123
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00015626
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00015626
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.4123
    }
  ],
  "source": "EF 3.1",
  "identifier": "bb8654f8-e98e-4598-88e2-70e85312d37d",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "bb8654f8-e98e-4598-88e2-70e85312d37d",
      "source_flow_name": "3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Isophorone diisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H18N2O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_53214"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:169132"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1",
        "CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_53214"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:169132"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_53214"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:169132"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NIMLQBUJDJZYEJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_53214"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:169132"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "222.288"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "222.13683"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane",
        "5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [
    {
      "@value": "A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.651B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.021.692",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0499",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=53880-05-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=53895-31-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=53895-32-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0023826",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Isophorone_diisocyanate",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/43B0856528",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0253670",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/169132",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[4098-71-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2290",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/1447476",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/19851844",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/20817708",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/22237013",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23218325",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23394610",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23484438",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23548862",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23564646",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/23648023",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.cdc.gov/niosh-rtecs/NQ8EF990.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53214",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_53214"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1509442",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58591",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q415415",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169132;CAS:4098-71-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4098-71-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate",
          "http://purl.obolibrary.org/obo/CHEBI_53214",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane",
          "http://purl.obolibrary.org/obo/CHEBI_53214",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "IPDI",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:IPDI",
          "http://purl.obolibrary.org/obo/CHEBI_53214",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester",
          "http://purl.obolibrary.org/obo/CHEBI_53214",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Isophorone diamine diisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:Isophorone diamine diisocyanate",
          "http://purl.obolibrary.org/obo/CHEBI_53214",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isocyanatomethyl-3-isocyanato-1,5,5-trimethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PDI",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4098-71-9",
          "https://commonchemistry.cas.org/detail?cas_rn=4098-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "4098-71-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/bb8654f8-e98e-4598-88e2-70e85312d37d",
        "skos:prefLabel": "3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/bb8654f8-e98e-4598-88e2-70e85312d37d"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-28f415ff29fd221c"
}