Consensus flow list

Identity

Substance
fo-d7788d3d0ad827fd Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Non-agricultural
CAS
1160806-44-9
EC
700-225-0

Context

Dimension
Environmental
Geography
Non-agricultural
Media
Ground

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 62d0e217-1c04-40de-9637-90a39d0314b1 reaction mass of ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate 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 62d0e217-1c04-40de-9637-90a39d0314b1 reaction mass of ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate Emissions/Emissions to soil/Emissions to non-agricultural soil exactMatch

Characterisation factors

4

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 184.8
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 184.8 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 184.8
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 184.8 sole

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": "Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1160806-44-9",
          "https://commonchemistry.cas.org/detail?cas_rn=1160806-44-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 3,4-dibromo-2-methylbutanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1160806-44-9",
          "https://commonchemistry.cas.org/detail?cas_rn=1160806-44-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H12Br2O2"
      ],
      "attested_by": {
        "C7H12Br2O2": [
          "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:23045355"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JEGZRCOIHFVAGQ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JEGZRCOIHFVAGQ-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:23045355"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCOC(=O)C(C)C(Br)CBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(Br)CBr"
          ]
        }
      ],
      "attested_by": {
        "CCOC(=O)C(C)C(Br)CBr": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H12Br2O2/c1-3-11-7(10)5(2)6(9)4-8/h5-6H,3-4H2,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(Br)CBr"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H12Br2O2/c1-3-11-7(10)5(2)6(9)4-8/h5-6H,3-4H2,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester"
        ]
      },
      "attested_by": {
        "Butanoic acid, 3,4-dibromo-2-methyl-, ethyl ester": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        287.979
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(CBr)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(Br)CBr"
          ]
        }
      ],
      "attested_by": {
        "287.979": [
          "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": [
        285.920404
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(CBr)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)C(C)C(Br)CBr"
          ]
        }
      ],
      "attested_by": {
        "285.920404": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1160806-44-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23045355;CAS:1160806-44-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1160806-44-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID601035703",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23045355;CAS:1160806-44-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1160806-44-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23045355",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23045355;CAS:1160806-44-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1160806-44-9]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Reaction Mass Of Ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate And Ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate And Ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate And Ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate",
      "@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": "62d0e217-1c04-40de-9637-90a39d0314b1",
  "identifier": "62d0e217-1c04-40de-9637-90a39d0314b1",
  "source": "EF 3.1",
  "cas_numbers": [
    "1160806-44-9"
  ],
  "ec_numbers": [
    "700-225-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Non-agricultural"
  },
  "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": 184.8
    },
    {
      "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": 184.8
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-d7788d3d0ad827fd",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/62d0e217-1c04-40de-9637-90a39d0314b1",
        "skos:prefLabel": "reaction mass of ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate",
        "context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/62d0e217-1c04-40de-9637-90a39d0314b1"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/62d0e217-1c04-40de-9637-90a39d0314b1"
      },
      "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": "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": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "1160806-44-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "reaction mass of ethyl (2s,3s)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2s,3r)-3,4-dibromo-2-methylbutanoate and ethyl (2r,3s)-3,4-dibromo-2-methylbutanoate",
    "synonyms": [
      "organic"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to non-agricultural soil"
    ],
    "cas_numbers": [
      "1160806-44-9"
    ],
    "ec_numbers": [
      "700-225-0"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.