Consensus flow list

((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene

28eaabe4-1ff8-4db0-99f8-cf15f67be27c

Identity

Substance
fo-54359fdc91b1271a NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
1404190-37-9
EC
801-941-7

Context

Dimension
Environmental
Indoor
Unknown
Media
Air

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 28eaabe4-1ff8-4db0-99f8-cf15f67be27c ((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene 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 28eaabe4-1ff8-4db0-99f8-cf15f67be27c ((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene Emissions/Emissions to air/Emissions to air, indoor exactMatch —

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": "1-(Decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)benzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1404190-37-9",
          "https://commonchemistry.cas.org/detail?cas_rn=1404190-37-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1404190-37-9",
          "https://commonchemistry.cas.org/detail?cas_rn=1404190-37-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C39H48O"
      ],
      "attested_by": {
        "C39H48O": [
          "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:129318102"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GAXIFKVOUILVHY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "GAXIFKVOUILVHY-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:129318102"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
        ]
      },
      "attested_by": {
        "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        532.812
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
          ]
        }
      ],
      "attested_by": {
        "532.812": [
          "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": [
        532.370516
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
          ]
        }
      ],
      "attested_by": {
        "532.370516": [
          "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/100.228.697",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:129318102;CAS:1404190-37-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1404190-37-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:129318102;CAS:1404190-37-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50889302",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:129318102;CAS:1404190-37-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/129318102",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:129318102;CAS:1404190-37-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1404190-37-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82869155",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:129318102;CAS:1404190-37-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
      "@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": "28eaabe4-1ff8-4db0-99f8-cf15f67be27c",
  "identifier": "28eaabe4-1ff8-4db0-99f8-cf15f67be27c",
  "source": "EF 3.1",
  "cas_numbers": [
    "1404190-37-9"
  ],
  "ec_numbers": [
    "801-941-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "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": 8.2911e-6
    },
    {
      "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": 8.2911e-6
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-54359fdc91b1271a",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/28eaabe4-1ff8-4db0-99f8-cf15f67be27c",
        "skos:prefLabel": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/28eaabe4-1ff8-4db0-99f8-cf15f67be27c"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/28eaabe4-1ff8-4db0-99f8-cf15f67be27c"
      },
      "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": "bootstrap_labels",
    "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": {
    "1404190-37-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
    "synonyms": [
      "organic",
      "accutraces-10",
      "accutraces4-10"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "1404190-37-9"
    ],
    "ec_numbers": [
      "801-941-7"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.