Consensus flow list

Identity

Substance
fo-563c28c30a37ffc3 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Surface water
CAS
113889-23-9
EC
441-420-8

Context

Dimension
Environmental
Media
Water
Water body
Surface water

Alternative labels

3

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 2a3aa834-ce84-4167-a6ef-93e1c883aaca reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate 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 2a3aa834-ce84-4167-a6ef-93e1c883aaca reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate Emissions/Emissions to water/Emissions to fresh water 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 10,639
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 10,639 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 10,639
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 10,639 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer 4.0293e-08
EF 3.1 consensus-flow-list Human toxicity, non-cancer 4.0293e-08 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics 4.0293e-08
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics 4.0293e-08 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:113889-23-9",
          "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclobutanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:113889-23-9",
          "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tricyclodecenyl butyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:113889-23-9",
          "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H20O2"
      ],
      "attested_by": {
        "C14H20O2": [
          "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": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC(=O)OC1C=CC2C1C3CCC2C3"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KLEHDRXJJZQKPQ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "KLEHDRXJJZQKPQ-UHFFFAOYSA-N": [
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          "rdkit_post_consensus"
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCC(=O)OC1C=CC2C1C3CCC2C3"
      ],
      "attested_by": {
        "CCCC(=O)OC1C=CC2C1C3CCC2C3": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC(=O)OC1C=CC2C1C3CCC2C3"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3"
      ],
      "attested_by": {
        "InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3": [
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        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
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          ],
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCC(=O)OC1C=CC2C1C3CCC2C3"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate",
        "butanoic acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester",
        "butyric acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester"
      ],
      "attested_by": {
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        ],
        "butanoic acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester": [
          "enrich_references.pubchem_semantic"
        ],
        "butyric acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester": [
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        ]
      },
      "rdfs:label": "IUPAC name",
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        220.312
      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC(=O)OC1C=CC2C1C3CCC2C3"
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "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": [
        220.14633
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC(=O)OC1C=CC2C1C3CCC2C3"
          ]
        }
      ],
      "attested_by": {
        "220.14633": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    },
    {
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[113889-23-9]"
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    }
  ],
  "prefLabel": [
    {
      "@value": "Reaction Mass Of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl Butyrate And 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl Butyrate",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "2a3aa834-ce84-4167-a6ef-93e1c883aaca",
  "identifier": "2a3aa834-ce84-4167-a6ef-93e1c883aaca",
  "source": "EF 3.1",
  "cas_numbers": [
    "113889-23-9"
  ],
  "ec_numbers": [
    "441-420-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 10639.0
    },
    {
      "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": 4.0293e-8
    },
    {
      "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": 4.0293e-8
    },
    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 10639.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-563c28c30a37ffc3",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/2a3aa834-ce84-4167-a6ef-93e1c883aaca"
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      "xkos:targetConcept": {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "113889-23-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate",
    "synonyms": [
      "organic",
      "cyclobutanate",
      "nectarateâ?¢"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "113889-23-9"
    ],
    "ec_numbers": [
      "441-420-8"
    ],
    "unit": "kg"
  }
}

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