Consensus flow list

3-cyano-3,5,5-trimethylcyclohexanone

d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1

Identity

Substance
fo-94a4df937a0a87ff Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
7027-11-4
EC
411-490-4

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Alternative labels

6

Source lists

2
List Version Source flow Name there Why this flow
EF 3.1 d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1 3-cyano-3,5,5-trimethylcyclohexanone The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
ecoinvent 3.12 d9748d02-bca8-4ace-8de3-131e8c2ba6eb Isophoronenitrile A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow.

Concept associations

2
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1 3-cyano-3,5,5-trimethylcyclohexanone Emissions/Emissions to water/Emissions to water, unspecified exactMatch —
ecoinvent 3.12 d9748d02-bca8-4ace-8de3-131e8c2ba6eb Isophoronenitrile water / unspecified exactMatch —

Characterisation factors

6

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 — 1,980.8 —
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater — 1,980.8 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 1,980.8 agreed
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 1,980.8 —
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater_organics — 1,980.8 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 1,980.8 agreed

This flow in the difference report

History

The change log and the PROV-O trail (2 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": "1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7027-11-4",
          "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7027-11-4",
          "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7027-11-4",
          "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7027-11-4",
          "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7027-11-4",
          "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isophoronenitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7027-11-4",
          "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H15NO"
      ],
      "attested_by": {
        "C10H15NO": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:99068"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(=O)CC(C)(C#N)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JJDFVIDVSCYKDS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JJDFVIDVSCYKDS-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:99068"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(=O)CC(C)(C#N)C1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC1(C)CC(=O)CC(C)(C#N)C1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3-cyano-3,5,5-trimethylcyclohexanone"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(=O)CC(C)(C#N)C1"
          ]
        }
      ],
      "attested_by": {
        "CC1(C)CC(=O)CC(C)(C#N)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/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3-cyano-3,5,5-trimethylcyclohexanone"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(=O)CC(C)(C#N)C1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3-cyano-3,5,5-trimethylcyclohexanone"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3-cyano-3,5,5-trimethylcyclohexanone"
        ]
      },
      "attested_by": {
        "3-cyano-3,5,5-trimethylcyclohexanone": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        165.236
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(CC(=O)CC(C1)(C)C#N)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(=O)CC(C)(C#N)C1"
          ]
        }
      ],
      "attested_by": {
        "165.236": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        165.115364
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(CC(=O)CC(C1)(C)C#N)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1(C)CC(=O)CC(C)(C#N)C1"
          ]
        }
      ],
      "attested_by": {
        "165.115364": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.556C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.101.093",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8029284",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=171143",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0IBM7D6DSA",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/99068",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7027-11-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27236819",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3-cyano-3,5,5-trimethylcyclohexanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1",
  "identifier": "d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1",
  "source": "EF 3.1",
  "cas_numbers": [
    "7027-11-4"
  ],
  "ec_numbers": [
    "411-490-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "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": 1980.8
    },
    {
      "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": 1980.8
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-94a4df937a0a87ff",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1",
        "skos:prefLabel": "3-cyano-3,5,5-trimethylcyclohexanone",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1"
      },
      "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"
        ]
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/d9748d02-bca8-4ace-8de3-131e8c2ba6eb",
        "skos:prefLabel": "Isophoronenitrile",
        "context": "water / unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d1d0b5b1-ff55-4b7d-8dbf-8fd6f56412f1"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.12:d9748d02-bca8-4ace-8de3-131e8c2ba6eb",
          "Isophoronenitrile",
          "ecoinvent-3.11-biosphere-EF-3.1-biosphere"
        ],
        "prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "7027-11-4": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "3-cyano-3,5,5-trimethylcyclohexanone",
    "synonyms": [
      "organic",
      "3-cyano-3,5,5-trimethylcyclohexanone",
      "isophoronenitrile"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified"
    ],
    "cas_numbers": [
      "7027-11-4"
    ],
    "ec_numbers": [
      "411-490-4"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.