Brightway Flows 1.0
GitHub

Isophorone diisocyanate

9d371d8e-a2b3-4c0d-8e87-35687b745bbc

Identity

Substance
fo-28f415ff29fd221c Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
4098-71-9
EC
223-861-6

Context

Dimension
Environmental
Indoor
Unknown
Media
Air

Alternative labels

16

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 9d371d8e-a2b3-4c0d-8e87-35687b745bbc 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 9d371d8e-a2b3-4c0d-8e87-35687b745bbc 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate Emissions/Emissions to air/Emissions to air, indoor exactMatch —

Characterisation factors

8

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater — 11.691 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 11.691 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 11.691 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 11.691 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer — 0.002742 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer — 0.002742 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics — 0.002742 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics — 0.002742 sole

This flow in the difference report

History

The change log and the PROV-O trail (4 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "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": [
          "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": [
          "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": [
          "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": [
          "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": "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"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H18N2O2"
      ],
      "attested_by": {
        "C12H18N2O2": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "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"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Isophorone diisocyanate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        }
      ],
      "attested_by": {
        "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@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"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Isophorone diisocyanate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        }
      ],
      "attested_by": {
        "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": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NIMLQBUJDJZYEJ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "NIMLQBUJDJZYEJ-UHFFFAOYSA-N": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "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"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        222.288
      ],
      "attested_by": {
        "222.288": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "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"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        222.136828,
        222.13683
      ],
      "attested_by": {
        "222.13683": [
          "enrich_references.chebi_semantic"
        ],
        "222.136828": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
        "0": [
          "enrich_references.chebi_semantic"
        ]
      },
      "rdfs:label": "Elemental 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",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Isophorone diisocyanate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Isophorone diisocyanate"
        ]
      },
      "attested_by": {
        "Isophorone diisocyanate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "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]"
      }
    }
  ],
  "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"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#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"
      }
    }
  ],
  "uuid": "9d371d8e-a2b3-4c0d-8e87-35687b745bbc",
  "identifier": "9d371d8e-a2b3-4c0d-8e87-35687b745bbc",
  "source": "EF 3.1",
  "cas_numbers": [
    "4098-71-9"
  ],
  "ec_numbers": [
    "223-861-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "synonyms": [],
  "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": 11.691
    },
    {
      "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": 0.0027416
    },
    {
      "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": 0.0027416
    },
    {
      "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": 11.691
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-28f415ff29fd221c",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/9d371d8e-a2b3-4c0d-8e87-35687b745bbc",
        "skos:prefLabel": "3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/9d371d8e-a2b3-4c0d-8e87-35687b745bbc"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/9d371d8e-a2b3-4c0d-8e87-35687b745bbc"
      },
      "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"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "4098-71-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate",
    "synonyms": [
      "3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate",
      "isophoronedi-isocyanate",
      "isophorone diisocyanate",
      "cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-",
      "3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate",
      "5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane",
      "isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester",
      "1-isocyanato-3-isocyanatomethyl-3,5,5-trimethylcyclohexane",
      "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",
      "3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate",
      "3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate",
      "ipdi",
      "isophorone diisocyanate (cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-)",
      "basonati",
      "desmoduri",
      "isophoronediisocyanate",
      "isophoronediisocyanate(ipdi)",
      "vestanatipdiothernamescyclohexane,5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl",
      "2-isocyanato-1-(isocyanatomethyl)-1,5,5-trimethylcyclohexane",
      "21693_4098-71-9",
      "3-isocyanatomethyl-3,3,5-trimethylcyclohexylisocyanate",
      "3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanateisophoronedi-isocyanate",
      "3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocianate",
      "5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane",
      "cyclohexane,5-isocyanto-1-(isocyanatomethyl)-1,3,3-trimethyl-",
      "isoforondiisokyanã¡t",
      "isophoronediisocyanate(mixtureofisomers)",
      "AC1L2FFB"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "4098-71-9"
    ],
    "ec_numbers": [
      "223-861-6"
    ],
    "unit": "kg"
  }
}

Something wrong here?

A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close