Consensus flow list

Identity

Substance
fo-5b5ad10374b64f1e Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Non-agricultural
CAS
93803-87-3
EC
298-361-4

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 a9f7802f-b01b-403d-beb4-e3b203eb3f7a 2-octyldodecyl isooctadecanoate 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 a9f7802f-b01b-403d-beb4-e3b203eb3f7a 2-octyldodecyl isooctadecanoate Emissions/Emissions to soil/Emissions to non-agricultural soil 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 1.5770e-06
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 1.5770e-06 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 1.5770e-06
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 1.5770e-06 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer 3.0319e-11
EF 3.1 consensus-flow-list Human toxicity, non-cancer 3.0319e-11 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics 3.0319e-11
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics 3.0319e-11 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": "2-Octyldodecyl isostearate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:93803-87-3",
          "https://commonchemistry.cas.org/detail?cas_rn=93803-87-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctadecanoic acid, 2-octyldodecyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:93803-87-3",
          "https://commonchemistry.cas.org/detail?cas_rn=93803-87-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C38H76O2"
      ],
      "attested_by": {
        "C38H76O2": [
          "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:44147658"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QNJOVLAFLJQFBF-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
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        ]
      },
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
        565.024
      ],
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        564.584532
      ],
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        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "564.584532": [
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          "rdkit_pre_consensus"
        ]
      },
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    }
  },
  "references": [
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      }
    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9VT64134L0",
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        "prov:wasDerivedFrom": "pubchem.identifiers[93803-87-3]"
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    },
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        "prov:wasDerivedFrom": "pubchem.by_cas[93803-87-3]"
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  ],
  "prefLabel": [
    {
      "@value": "2-octyldodecyl Isooctadecanoate",
      "@language": "en",
      "source": {
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        "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": "a9f7802f-b01b-403d-beb4-e3b203eb3f7a",
  "identifier": "a9f7802f-b01b-403d-beb4-e3b203eb3f7a",
  "source": "EF 3.1",
  "cas_numbers": [
    "93803-87-3"
  ],
  "ec_numbers": [
    "298-361-4"
  ],
  "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": 1.577e-6
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
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      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
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    },
    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
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      "characterization_factor": 3.0319e-11
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.577e-6
    }
  ],
  "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-5b5ad10374b64f1e",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/a9f7802f-b01b-403d-beb4-e3b203eb3f7a",
        "skos:prefLabel": "2-octyldodecyl isooctadecanoate",
        "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/a9f7802f-b01b-403d-beb4-e3b203eb3f7a"
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      },
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
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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": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "93803-87-3": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "2-octyldodecyl isooctadecanoate",
    "synonyms": [
      "organic",
      "2-octyldodecylisooctadecanoate"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to non-agricultural soil"
    ],
    "cas_numbers": [
      "93803-87-3"
    ],
    "ec_numbers": [
      "298-361-4"
    ],
    "unit": "kg"
  }
}

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