Consensus flow list

Identity

Substance
fo-c7b4999948ddd439 Molecular complex
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Unknown
CAS
71010-76-9
EC
275-118-0

Context

Dimension
Environmental
Media
Air
Strata
Unknown

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol 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 a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol Emissions/Emissions to air/Emissions to air, unspecified 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 0.009787
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 0.009787 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 0.009787
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 0.009787 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer 8.5539e-08
EF 3.1 consensus-flow-list Human toxicity, non-cancer 8.5539e-08 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics 8.5539e-08
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics 8.5539e-08 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": "Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:71010-76-9",
          "https://commonchemistry.cas.org/detail?cas_rn=71010-76-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C35H72O12"
      ],
      "attested_by": {
        "C35H72O12": [
          "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:172700"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZIRMEZKEFPNOEV-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "ZIRMEZKEFPNOEV-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:172700"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
      ],
      "attested_by": {
        "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:172700"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H20O2.C8H16O2.C7H14O2.C5H12O4.C5H10O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9;1-2-3-4-5(6)7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9);6-9H,1-4H2;2-4H2,1H3,(H,6,7)"
      ],
      "attested_by": {
        "InChI=1S/C10H20O2.C8H16O2.C7H14O2.C5H12O4.C5H10O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9;1-2-3-4-5(6)7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9);6-9H,1-4H2;2-4H2,1H3,(H,6,7)": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:172700"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid",
        "capric acid;caprylic acid;2,2-dimethylolpropane-1,3-diol;enanthic acid;valeric acid"
      ],
      "attested_by": {
        "2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "capric acid;caprylic acid;2,2-dimethylolpropane-1,3-diol;enanthic acid;valeric acid": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172700"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        684.949
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        }
      ],
      "attested_by": {
        "684.949": [
          "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": [
        684.502378
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O"
          ]
        }
      ],
      "attested_by": {
        "684.502378": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.068.268",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71010-76-9]"
      }
    },
    {
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      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[71010-76-9]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Tetra-esterification Products Of Nc5, C7, C8, C10 Fatty Acids With Pentaerythritol",
      "@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/MolecularComplex"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc",
  "identifier": "a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc",
  "source": "EF 3.1",
  "cas_numbers": [
    "71010-76-9"
  ],
  "ec_numbers": [
    "275-118-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "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": 0.0097873
    },
    {
      "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": 8.5539e-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": 8.5539e-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": 0.0097873
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-c7b4999948ddd439",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc",
        "skos:prefLabel": "tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc"
        }
      },
      "xkos:targetConcept": {
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      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "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": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "71010-76-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "tetra-esterification products of nc5, c7, c8, c10 fatty acids with pentaerythritol",
    "synonyms": [
      "organic",
      "decanoicacid,mixedesterswithheptanoicacid,octanoicacid,pentaerythritolandvalericacid"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, unspecified"
    ],
    "cas_numbers": [
      "71010-76-9"
    ],
    "ec_numbers": [
      "275-118-0"
    ],
    "unit": "kg"
  }
}

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