Consensus flow list

Decanoic Acid, Mixed Esters With Heptanoic Acid, Octanoic Acid And Trimethylolpropane

0976974d-33cc-4f48-872b-ec0070c7db85

Identity

Substance
fo-3e292c470ec42057 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Unknown
CAS
68130-53-0
EC
268-596-7

Context

Dimension
Environmental
Geography
Unknown
Media
Ground

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 0976974d-33cc-4f48-872b-ec0070c7db85 decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane 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 0976974d-33cc-4f48-872b-ec0070c7db85 decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane Emissions/Emissions to soil/Emissions to soil, 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 — 9.4771e-07 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 9.4771e-07 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 9.4771e-07 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 9.4771e-07 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer — 9.0937e-11 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer — 9.0937e-11 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics — 9.0937e-11 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics — 9.0937e-11 sole

This flow in the difference report

History

The change log and the PROV-O trail (1 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": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C30H56O6"
      ],
      "attested_by": {
        "C30H56O6": [
          "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:3085368"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QLFNMEAVIXLCHS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "QLFNMEAVIXLCHS-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:3085368"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
      ],
      "attested_by": {
        "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3085368"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C30H56O6/c1-4-7-10-13-14-15-16-18-20-23-29(32)35-26-27(25-34-28(31)22-19-12-9-6-3)36-30(33)24-21-17-11-8-5-2/h27H,4-26H2,1-3H3"
      ],
      "attested_by": {
        "InChI=1S/C30H56O6/c1-4-7-10-13-14-15-16-18-20-23-29(32)35-26-27(25-34-28(31)22-19-12-9-6-3)36-30(33)24-21-17-11-8-5-2/h27H,4-26H2,1-3H3": [
          "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:3085368"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(3-heptanoyloxy-2-octanoyloxy-propyl) dodecanoate",
        "(3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate",
        "dodecanoic acid [3-(1-oxoheptoxy)-2-(1-oxooctoxy)propyl] ester",
        "lauric acid (2-caprylyloxy-3-enanthyloxy-propyl) ester"
      ],
      "attested_by": {
        "(3-heptanoyloxy-2-octanoyloxy-propyl) dodecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "(3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "dodecanoic acid [3-(1-oxoheptoxy)-2-(1-oxooctoxy)propyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "lauric acid (2-caprylyloxy-3-enanthyloxy-propyl) ester": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3085368"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        512.772
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "512.772": [
          "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": [
        512.40769
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "512.40769": [
          "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=68130-53-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "68130-53-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3085368",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3085368;CAS:68130-53-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68130-53-0]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Decanoic Acid, Mixed Esters With Heptanoic Acid, Octanoic Acid And Trimethylolpropane",
      "@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": "0976974d-33cc-4f48-872b-ec0070c7db85",
  "identifier": "0976974d-33cc-4f48-872b-ec0070c7db85",
  "source": "EF 3.1",
  "cas_numbers": [
    "68130-53-0"
  ],
  "ec_numbers": [
    "268-596-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 9.4771e-7
    },
    {
      "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": 9.0937e-11
    },
    {
      "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": 9.0937e-11
    },
    {
      "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": 9.4771e-7
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-3e292c470ec42057",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/0976974d-33cc-4f48-872b-ec0070c7db85",
        "skos:prefLabel": "decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/0976974d-33cc-4f48-872b-ec0070c7db85"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/0976974d-33cc-4f48-872b-ec0070c7db85"
      },
      "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",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "68130-53-0": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane",
    "synonyms": [
      "organic",
      "decanoicacid,mixedesterswithheptanoicacid,octanoicacidandtrimethylolpropane",
      "hatcol1510",
      "hatcol2925"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to soil, unspecified"
    ],
    "cas_numbers": [
      "68130-53-0"
    ],
    "ec_numbers": [
      "268-596-7"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.